2- (2-Methylbenzyl) phenol

CAT: 0127-OR1087731-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1087731-01Size:250 mg

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CAS Number

22040-06-8

MDL Number

MFCD24715651

Purity

97%

Smiles

C1 (c (cccc1) O) Cc1c (cccc1) C

Chemical Information

2-(2-MethylbenZyl)phenol

CAS Number	22040-06-8
PubChem CID	12221487
IUPAC Name	2-[(2-methylphenyl)methyl]phenol
Molecular Formula	C14H14O
Molecular Weight	198.26
XLogP	3.9
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	190

SMILES

CC1=CC=CC=C1CC2=CC=CC=C2O

InChI

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

InChIKey

OGHABXJFTCRNDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22040-06-8

CID: 12221487

Formula: C14H14O

MW: 198.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.26
XLogP3	3.9
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	190
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
OR1098297	2- (4-Methylbenzyl) phenol
OR1090005-01	2- (3-Methylbenzyl) phenol
OR1089831-01	4-Bromo-2- (4-methylbenzyl) phenol
OR1043891-01	4-sec-Butyl-2- (a-methylbenzyl) phenol
OR905544	2- (2-Methylbenzyl) piperidine
OR19491	2-Methylbenzyl isothiocyanate
OR350231-01	2-Methylbenzyl alcohol
OR315771-01	2-Methylbenzyl cyanide
OR28627-01	2-Methylbenzyl chloride
OR350233-01	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
QAA28853	2- (Trimethylsilyl) phenol
IBA49447-01	2- (Cyclopropylmethyl) phenol
EBA54960-01	2- (Ethylsulfanyl) phenol
TRC-D701275-100MG	2-(Diphenylphosphinylmethyl)phenol
TRC-B207055-500MG	2-Benzotriazolyl-phenol
sc-254093	2- (Methylamino) phenol