(2R)-2-(3-chlorophenyl)pentan-2-ol

C11H15ClO — CID 93299128

IUPAC(2R)-2-(3-chlorophenyl)pentan-2-ol
SMILESCCC[C@@](C)(O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h4-6,8,13H,3,7H2,1-2H3/t11-/m1/s1
InChIKeyPFTAWUCJQQXEKW-LLVKDONJSA-N
MW198.69 g/mol
LogP3.35
Rot. Bonds3

About (2R)-2-(3-chlorophenyl)pentan-2-ol

(2R)-2-(3-chlorophenyl)pentan-2-ol (PubChem CID 93299128) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)pentan-2-ol
PubChem CID93299128
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name(2R)-2-(3-chlorophenyl)pentan-2-ol
SMILESCCC[C@@](C)(O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h4-6,8,13H,3,7H2,1-2H3/t11-/m1/s1
InChIKeyPFTAWUCJQQXEKW-LLVKDONJSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
2-(3-chlorophenyl)hex-5-yn-2-ol
CID 63656673
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978
(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol
CID 97294313
2-(3-chlorophenyl)-3-methylhexan-2-ol
CID 107892502
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
2-(3-chlorophenyl)-1-(2,3-dichlorophenyl)propan-2-ol
CID 107307348

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)pentan-2-ol?
The IUPAC name of (2R)-2-(3-chlorophenyl)pentan-2-ol (CID 93299128) is (2R)-2-(3-chlorophenyl)pentan-2-ol.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)pentan-2-ol?
The canonical SMILES for (2R)-2-(3-chlorophenyl)pentan-2-ol is CCC[C@@](C)(O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)pentan-2-ol?
The InChIKey is PFTAWUCJQQXEKW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h4-6,8,13H,3,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)pentan-2-ol?
(2R)-2-(3-chlorophenyl)pentan-2-ol has a molecular weight of 198.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)pentan-2-ol is sourced from PubChem (CID 93299128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).