3-Ethyl-α-methylbenzenemethanol

CAT: 0127-OR1092769-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1092769-01Size:250 mg

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CAS Number

54264-96-9

MDL Number

MFCD11520989

Purity

97%

Smiles

C (C) (O) c1cc (CC) ccc1

Chemical Information

1-(3-Ethylphenyl)ethanol

CAS Number	54264-96-9
PubChem CID	13791377
IUPAC Name	1-(3-ethylphenyl)ethanol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	2.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	111

SMILES

CCC1=CC(=CC=C1)C(C)O

InChI

InChI=1S/C10H14O/c1-3-9-5-4-6-10(7-9)8(2)11/h4-8,11H,3H2,1-2H3

InChIKey

YZQJOFFFRWMDSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54264-96-9

CID: 13791377

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	111
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

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