3-phenylpentan-3-ol

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CAS Number

1565-71-5

MDL Number

MFCD00021830

Smiles

C1cccc (c1) C (CC) (CC) O

Chemical Information

3-Phenylpentan-3-ol

CAS Number	1565-71-5
PubChem CID	238511
IUPAC Name	3-phenylpentan-3-ol
Molecular Formula	C11H16O
Molecular Weight	164.24
XLogP	2.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	121

SMILES

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

InChI

InChI=1S/C11H16O/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3

InChIKey

XXCPOPNECJIJIH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1565-71-5

CID: 238511

Formula: C11H16O

MW: 164.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.24
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	164.120115130
Monoisotopic Mass	164.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121
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
AQA79922-01	1-Amino-5-phenylpentan-3-ol
NDA79027-01	2-Methyl-2-phenylpentan-3-ol
TCA42607-01	4-Methyl-1-phenylpentan-3-ol
GTR19243287-01	5-phenylpentan-1-ol
VAA79551-01	1-Phenylpentan-3-one
TRC-P399658-2.5G	3-Phenylpentan-3-amine Hydrochloride
AR-A06197-01	1-Phenylpentan-3-Amine
UAA64153-01	(1R) -1-Phenylpentan-1-ol
HDA59043-01	4-Amino-5-phenylpentan-1-ol
RIC90768-01	1-Amino-5-phenylpentan-2-ol