2- (4-Methylphenyl) -1-propanol

CAT: 0127-BUP21268-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21268-01Size:1 mg

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CAS Number

4371-50-0

Synonyms

2- (P-tolyl) propan-1-ol

Purity

=95%

Smiles

OCC(C1=CC=C(C=C1)C)C

Chemical Information

p-Cymen-9-ol

2-(4-Methylphenyl)-1-propanol is a monoterpenoid.

CAS Number	4371-50-0
PubChem CID	95376
IUPAC Name	2-(4-methylphenyl)propan-1-ol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	2.9
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

CC1=CC=C(C=C1)C(C)CO

InChI

InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3

InChIKey

CLFDIFDNDWRHJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4371-50-0

CID: 95376

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	2.9
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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