α-Ethyl-4-methylbenzenemethanol

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CAS Number

25574-04-3

MDL Number

MFCD00033356

Smiles

C (CC) (O) c1ccc (C) cc1

Chemical Information

1-(4-Methylphenyl)-1-propanol

CAS Number	25574-04-3
PubChem CID	2793873
IUPAC Name	1-(4-methylphenyl)propan-1-ol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	2.3
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	103

SMILES

CCC(C1=CC=C(C=C1)C)O

InChI

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

InChIKey

ZBDUWPZEVMGAMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25574-04-3

CID: 2793873

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	2.3
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	103
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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