3-hydroxy-1-phenylpropan-1-one

C9H10O2 — CID 569605

IUPAC3-hydroxy-1-phenylpropan-1-one
SMILESO=C(CCO)c1ccccc1
InChIInChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyPQCFUZMQHVIOSM-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.25
Rot. Bonds3

About 3-hydroxy-1-phenylpropan-1-one

3-hydroxy-1-phenylpropan-1-one (PubChem CID 569605) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-phenylpropan-1-one
PubChem CID569605
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-hydroxy-1-phenylpropan-1-one
SMILESO=C(CCO)c1ccccc1
InChIInChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyPQCFUZMQHVIOSM-UHFFFAOYSA-N
XLogP1.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl benzoylacetate
CID 7170
Phenylglyoxylic Acid
CID 11915
2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
alpha-Hydroxyacetophenone
CID 68490
Ethanone, 1-phenyl-, dihydroxy deriv.
CID 99611
8-Oxo-8-phenyloctanoic acid
CID 298878
3-Benzoylpropionic acid
CID 72871
4,7-Dioxo-7-phenylheptanoic acid
CID 80634
2-Methoxy-1-phenylethanone
CID 77698
2-Hydroxy-1-phenyl-1-propanone
CID 101121
5-Benzoylpentanoic Acid
CID 223595
Ethyl 3-(4-methylphenyl)-3-oxopropanoate
CID 292637

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenylpropan-1-one?
The IUPAC name of 3-hydroxy-1-phenylpropan-1-one (CID 569605) is 3-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for 3-hydroxy-1-phenylpropan-1-one is O=C(CCO)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-phenylpropan-1-one?
The InChIKey is PQCFUZMQHVIOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of 3-hydroxy-1-phenylpropan-1-one?
3-hydroxy-1-phenylpropan-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 569605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).