[4- (2-Methylpropoxy) phenyl]methanol

CAT: 0926-AVA54759-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-AVA54759-01Size:100 mg

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CAS Number

500547-59-1

MDL Number

MFCD09754585

Smiles

CC (C) COC1=CC=C (C=C1) CO

Molecular Formula

C11H16O2

Molecular Weight

180.24 g/mol

Controlled

Chemical Information

(4-(2-Methylpropoxy)phenyl)methanol

CAS Number	500547-59-1
PubChem CID	249811
IUPAC Name	[4-(2-methylpropoxy)phenyl]methanol
Molecular Formula	C11H16O2
Molecular Weight	180.24
XLogP	2.4
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	126

SMILES

CC(C)COC1=CC=C(C=C1)CO

InChI

InChI=1S/C11H16O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,12H,7-8H2,1-2H3

InChIKey

DWPIWDIFYXPDHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 500547-59-1

CID: 249811

Formula: C11H16O2

MW: 180.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.24
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	180.115029749
Monoisotopic Mass	180.115029749
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	126
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
WQB06415-01	[3- (2-Methylpropoxy) phenyl]methanol
THC34174-01	[3,4-Difluoro-5- (2-methylpropoxy) phenyl]methanol
YAA42637-01	[5-Chloro-2- (2-methylpropoxy) phenyl]methanol
FQA44990-01	{3-[4- (2-Methylpropoxy) phenyl]-1-phenyl-1H-pyrazol-4-yl}methanol
NAA36294-01	2-[4- (2-Methylpropoxy) phenyl]acetic acid
AAC93467-01	[4-Methyl-2- (2-methylpropoxy) phenyl]methanamine
GCA06936-01	4- (2-Methylpropoxy) phenol
NDA65503-01	2-[4- (2-Methylpropoxy) phenyl]ethan-1-amine
IXB48783-01	2-Methyl-2-[4- (2-methylpropoxy) phenyl]propanoic acid
FCC71213-01	2-[4- (2-Methylpropoxy) phenyl]propan-2-amine hydrochloride

Catalog	Name
sc-334749A	[2- (2-methylpropoxy) phenyl]methanamine
sc-347724	[4- (2-methylpropoxy) phenyl]methanamine
OR1042105-01	2-[3- (2-methylpropoxy) phenyl]acetic acid
JH919509	(2- (Hydroxymethyl) phenyl) (phenyl) methanol
OR1080389-01	(2- (methoxymethyl) phenyl) (phenyl) methanol
OR1088668-01	(2- (methylthio) phenyl) (phenyl) methanol
OR1092005-01	(2- (dimethylamino) phenyl) (phenyl) methanol
PC1011035-01	Phenyl (2- (trifluoromethoxy) phenyl) methanol
JH444530	(2-CHLORO-PHENYL) -PHENYL-METHANOL
OR1081108-01	1-[3- (2-Methylpropoxy) phenyl]-1-propanone