(3R)-3-hydroxy-1-phenylbutan-1-one

C10H12O2 — CID 5324981

IUPAC(3R)-3-hydroxy-1-phenylbutan-1-one
SMILESC[C@@H](O)CC(=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m1/s1
InChIKeyIKOAVSIGNGDTNP-MRVPVSSYSA-N
MW164.20 g/mol
LogP1.64
Rot. Bonds3

About (3R)-3-hydroxy-1-phenylbutan-1-one

(3R)-3-hydroxy-1-phenylbutan-1-one (PubChem CID 5324981) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-phenylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-phenylbutan-1-one
PubChem CID5324981
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3R)-3-hydroxy-1-phenylbutan-1-one
SMILESC[C@@H](O)CC(=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m1/s1
InChIKeyIKOAVSIGNGDTNP-MRVPVSSYSA-N
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione
CID 10802844
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
(2S)-2-methyl-4-oxo-4-phenylbutanenitrile
CID 92981541
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537
4-bromo-3-hydroxy-1-phenylbutan-1-one
CID 13032297
3,3-bis(methylamino)-1-phenylpropan-1-one
CID 175140827
3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
CID 101447394
(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
CID 68510519

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-phenylbutan-1-one?
The IUPAC name of (3R)-3-hydroxy-1-phenylbutan-1-one (CID 5324981) is (3R)-3-hydroxy-1-phenylbutan-1-one.
What is the SMILES notation for (3R)-3-hydroxy-1-phenylbutan-1-one?
The canonical SMILES for (3R)-3-hydroxy-1-phenylbutan-1-one is C[C@@H](O)CC(=O)c1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-1-phenylbutan-1-one?
The InChIKey is IKOAVSIGNGDTNP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-phenylbutan-1-one?
(3R)-3-hydroxy-1-phenylbutan-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-phenylbutan-1-one is sourced from PubChem (CID 5324981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).