1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

C15H12O2 — CID 14611

IUPAC1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H
InChIKeyAETKQQBRKSELEL-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.29
Rot. Bonds3

About 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 14611) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID14611
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H
InChIKeyAETKQQBRKSELEL-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one (CID 14611) is 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is AETKQQBRKSELEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H.
What are the key properties of 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 224.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 14611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).