1-hydroxy-3-phenylpropan-2-one

C9H10O2 — CID 10931602

IUPAC1-hydroxy-3-phenylpropan-2-one
SMILESO=C(CO)Cc1ccccc1
InChIInChI=1S/C9H10O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyQLCZRWKIQPLYFS-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.79
Rot. Bonds3

About 1-hydroxy-3-phenylpropan-2-one

1-hydroxy-3-phenylpropan-2-one (PubChem CID 10931602) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-hydroxy-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-phenylpropan-2-one
PubChem CID10931602
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-hydroxy-3-phenylpropan-2-one
SMILESO=C(CO)Cc1ccccc1
InChIInChI=1S/C9H10O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyQLCZRWKIQPLYFS-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-phenylpropan-2-one?
The IUPAC name of 1-hydroxy-3-phenylpropan-2-one (CID 10931602) is 1-hydroxy-3-phenylpropan-2-one.
What is the SMILES notation for 1-hydroxy-3-phenylpropan-2-one?
The canonical SMILES for 1-hydroxy-3-phenylpropan-2-one is O=C(CO)Cc1ccccc1.
What is the InChIKey of 1-hydroxy-3-phenylpropan-2-one?
The InChIKey is QLCZRWKIQPLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of 1-hydroxy-3-phenylpropan-2-one?
1-hydroxy-3-phenylpropan-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-phenylpropan-2-one is sourced from PubChem (CID 10931602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).