(2S)-3-phenylpentan-2-ol

C11H16O — CID 45048673

IUPAC(2S)-3-phenylpentan-2-ol
SMILESCCC(c1ccccc1)[C@H](C)O
InChIInChI=1S/C11H16O/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-9,11-12H,3H2,1-2H3/t9-,11?/m0/s1
InChIKeyLHAADWIWLYETCI-FTNKSUMCSA-N
MW164.25 g/mol
LogP2.56
Rot. Bonds3

About (2S)-3-phenylpentan-2-ol

(2S)-3-phenylpentan-2-ol (PubChem CID 45048673) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S)-3-phenylpentan-2-ol.

Molecular Properties

Compound Name(2S)-3-phenylpentan-2-ol
PubChem CID45048673
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2S)-3-phenylpentan-2-ol
SMILESCCC(c1ccccc1)[C@H](C)O
InChIInChI=1S/C11H16O/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-9,11-12H,3H2,1-2H3/t9-,11?/m0/s1
InChIKeyLHAADWIWLYETCI-FTNKSUMCSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-phenyloctan-4-ol
CID 107894691
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
3-(3-methylphenyl)pentan-2-ol
CID 130543430
3-methyl-5-phenylheptan-4-amine
CID 105017445
(4-bromo-5-methylhexan-3-yl)benzene
CID 79298678
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
4-ethyl-3-phenylhexan-2-ol
CID 135184809
5-phenylhept-1-yn-4-ol
CID 115840091
3,4-diphenylhexanoic acid
CID 153127747
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
1-phenylpropan-1-ol;hydrate
CID 156782934

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenylpentan-2-ol?
The IUPAC name of (2S)-3-phenylpentan-2-ol (CID 45048673) is (2S)-3-phenylpentan-2-ol.
What is the SMILES notation for (2S)-3-phenylpentan-2-ol?
The canonical SMILES for (2S)-3-phenylpentan-2-ol is CCC(c1ccccc1)[C@H](C)O.
What is the InChIKey of (2S)-3-phenylpentan-2-ol?
The InChIKey is LHAADWIWLYETCI-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H16O/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-9,11-12H,3H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of (2S)-3-phenylpentan-2-ol?
(2S)-3-phenylpentan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenylpentan-2-ol is sourced from PubChem (CID 45048673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).