α-Methyl-2- (1-methylethyl) benzenemethanol

CAT: 0127-OR1082312-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1082312-01Size:250 mg

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CAS Number

1314927-63-3

MDL Number

MFCD11520979

Purity

95%

Smiles

C (C) (C) c1c (C (C) O) cccc1

Chemical Information

1-(2-iso-Propylphenyl)ethanol

CAS Number	1314927-63-3
PubChem CID	22486865
IUPAC Name	1-(2-propan-2-ylphenyl)ethanol
Molecular Formula	C11H16O
Molecular Weight	164.24
XLogP	2.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	131

SMILES

CC(C)C1=CC=CC=C1C(C)O

InChI

InChI=1S/C11H16O/c1-8(2)10-6-4-5-7-11(10)9(3)12/h4-9,12H,1-3H3

InChIKey

HDGKECNHQTVLTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1314927-63-3

CID: 22486865

Formula: C11H16O

MW: 164.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.24
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	164.120115130
Monoisotopic Mass	164.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
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