5-Isopropoxy-2-methylphenol

CAT: 0127-OR1094970Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1094970Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

918445-11-1

MDL Number

MFCD16997345

Purity

97%

Smiles

C1 (ccc (c (c1) O) C) OC (C) C

Chemical Information

5-Isopropoxy-2-methylphenol

CAS Number	918445-11-1
PubChem CID	68969147
IUPAC Name	2-methyl-5-propan-2-yloxyphenol
Molecular Formula	C10H14O2
Molecular Weight	166.22
XLogP	2.8
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	134

SMILES

CC1=C(C=C(C=C1)OC(C)C)O

InChI

InChI=1S/C10H14O2/c1-7(2)12-9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3

InChIKey

FRIHECHBOYPTBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 918445-11-1

CID: 68969147

Formula: C10H14O2

MW: 166.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.22
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	134
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
OR1081462-01	2-Isopropoxy-4-methylphenol
OR1081464-01	4-Isopropoxy-2-methylphenol
OR957533	4-Isopropoxy-3-methylphenol
OR1089524-01	(5-isopropoxy-2-methylphenyl) methanol
OR1068117-01	(5-Isopropoxy-2-methylphenyl) boronic acid
OR1090051-01	(2-Isopropoxy-5-methylphenyl) (methyl) sulfane
OR1089494-01	5- (5-Isopropoxy-2-methylphenyl) thiazol-2-amine
OR1093571-01	1- (2-Isopropoxy-5-methylphenyl) ethanone
OR1084339-01	(2-isopropoxy-5-methylphenyl) (phenyl) methanone
OR1099497	2-Isopropoxy-5-nitropyridine