1- (p-tolyl) cyclohexanol

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CAS Number

1821-24-5

MDL Number

MFCD00021398

Smiles

OC1 (CCCCC1) c1ccc (C) cc1

Chemical Information

1-(4-Methylphenyl)cyclohexanol

CAS Number	1821-24-5
PubChem CID	248762
IUPAC Name	1-(4-methylphenyl)cyclohexan-1-ol
Molecular Formula	C13H18O
Molecular Weight	190.28
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	174

SMILES

CC1=CC=C(C=C1)C2(CCCCC2)O

InChI

InChI=1S/C13H18O/c1-11-5-7-12(8-6-11)13(14)9-3-2-4-10-13/h5-8,14H,2-4,9-10H2,1H3

InChIKey

OBMCONSUAQQHNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1821-24-5

CID: 248762

Formula: C13H18O

MW: 190.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.28
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	190.135765193
Monoisotopic Mass	190.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174
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
OR1097548-01	2- (p-tolyl) cyclohexanol
OR1093535	1- (m-tolyl) cyclohexanol
OR1093536	1- (o-tolyl) cyclohexanol
OR1092671-01	2- (p-tolyl) cyclohexanone
OR1052712-01	1- (p-Tolyl) cyclohexanecarbonitrile
OR1093911-01	1- (p-tolyl) cyclopentanol
OR1063286-01	1- (p-Tolyl) guanidine
OR1098006-01	1- (p-tolyl) cyclobutanol
OR80523-01	1- (p-Tolyl) ethylamine
OR953037-01	1- (p-tolyl) cyclopropanamine

Catalog	Name
HY-W100410-01	P-Tolyl Acetate
T203889	P-Tolyl Phenylacetate
622-58-2	P-Tolyl isocyanate
sc-474125	P-Tolyl Salicylate
sc-485066	P-Tolyl Isobutyrate
sc-485067	P-Tolyl Isovalerate
290780-01	P-Tolyl chlorothionoformate
sc-250638	P-Tolyl isothiocyanate
sc-228892	P-Tolyl disulfide
sc-236281	P-Tolyl sulfoxide