2- (4-Methylbenzyl) phenol

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CAS Number

56502-38-6

MDL Number

MFCD00020065

Smiles

C1 (c (cccc1) O) Cc1ccc (cc1) C

Chemical Information

2-(4-Methylbenzyl)phenol

CAS Number	56502-38-6
PubChem CID	3646020
IUPAC Name	2-[(4-methylphenyl)methyl]phenol
Molecular Formula	C14H14O
Molecular Weight	198.26
XLogP	4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	182

SMILES

CC1=CC=C(C=C1)CC2=CC=CC=C2O

InChI

InChI=1S/C14H14O/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15/h2-9,15H,10H2,1H3

InChIKey

TVGZELAGISCEBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56502-38-6

CID: 3646020

Formula: C14H14O

MW: 198.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.26
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	198.104465066
Monoisotopic Mass	198.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	182
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
OR1089276-01	4-Bromo-2- (2-methylbenzyl) phenol
OR1087731-01	2- (2-Methylbenzyl) phenol
OR1043891-01	4-sec-Butyl-2- (a-methylbenzyl) phenol
OR1090005-01	2- (3-Methylbenzyl) phenol
OR902761	2- (4-Methylbenzyl) pyrrolidine
OR21494-01	2-{4-[ (4-Methylbenzyl) oxy]phenyl}acetonitrile
OR1011613-01	4-Methylbenzyl Phenyl Ketone
OR25198	2-[ (4-methylbenzyl) thio]thiophene
OR54375-01	4-Bromo-2-methylbenzyl alcohol
OR54376-01	4-Bromo-2-methylbenzyl bromide

Catalog	Name
CAA62283-01	4-sec-Butyl-2- (alpha-methylbenzyl) phenol
B29808-01	4-sec-Butyl-2- (a-methylbenzyl) phenol 95%
sc-492951	4-Chloro-2-{[ (2-methylbenzyl) amino]methyl}phenol
sc-494827	4-Chloro-2-{ (E) -[ (2-methylbenzyl) imino]methyl}phenol
429181-01	4- (4-Fluorophenyl) phenol
277945-01	4- (4-Fluorophenoxy) phenol
266213-01	4- (4-Bromophenoxy) phenol
sc-261338A	4- (4-Fluorophenylethynyl) phenol
sc-276777	4- (4-methylphenoxy) phenol
GTR19253994-01	4- (4-Chlorophenoxy) phenol