3- (2,2-Dimethylpropoxy) phenol

CAT: 0127-OR957636Size: 1 gDry Ice: NoHazardous: No

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CAS Number

1394975-12-2

MDL Number

MFCD23111162

Purity

95%

Smiles

CC(C)(C)COc1cccc(O)c1

Chemical Information

3-(2,2-Dimethylpropoxy)phenol

CAS Number	1394975-12-2
PubChem CID	20144702
IUPAC Name	3-(2,2-dimethylpropoxy)phenol
Molecular Formula	C11H16O2
Molecular Weight	180.24
XLogP	3.3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	149

SMILES

CC(C)(C)COC1=CC=CC(=C1)O

InChI

InChI=1S/C11H16O2/c1-11(2,3)8-13-10-6-4-5-9(12)7-10/h4-7,12H,8H2,1-3H3

InChIKey

AGIKBFAJBQQMSO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1394975-12-2

CID: 20144702

Formula: C11H16O2

MW: 180.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	180.24
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	180.115029749
Monoisotopic Mass	180.115029749
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149
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
OR1085276-01	2- (2,2-Dimethylpropoxy) benzaldehyde
OR1087543-01	1-[2- (2,2-Dimethylpropoxy) phenyl]ethanone
OR1093958-01	1-[4- (2,2-Dimethylpropoxy) phenyl]ethanone
OR1087589-01	2- (2,2-Dimethylpropoxy) benzoic acid
OR1087557-01	1-[2- (2,2-Dimethylpropoxy) phenyl]-1-propanone
OR1087536-01	1- (2,2-Dimethylpropoxy) -2-iodobenzene
OR1087248-01	4- (2,2-Dimethylpropoxy) benzaldehyde
OR1087575-01	Ethyl 4- (2,2-dimethylpropoxy) benzoate
PC1007175-01	3- (3,3,3-Trifluoro-2,2-dimethylpropoxy) -1H-pyrazole
OR1092140-01	1- (2,2-Dimethylpropoxy) -4-iodobenzene