1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one

C25H22O2 — CID 143800605

IUPAC1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one
SMILESC=CC(=O)c1cc(C(=C)CC(O)c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C25H22O2/c1-3-24(26)23-16-21(15-22(17-23)19-10-6-4-7-11-19)18(2)14-25(27)20-12-8-5-9-13-20/h3-13,15-17,25,27H,1-2,14H2
InChIKeyRSOLHWZYHZEJDX-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.86
Rot. Bonds7

About 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one

1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one (PubChem CID 143800605) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one
PubChem CID143800605
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one
SMILESC=CC(=O)c1cc(C(=C)CC(O)c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C25H22O2/c1-3-24(26)23-16-21(15-22(17-23)19-10-6-4-7-11-19)18(2)14-25(27)20-12-8-5-9-13-20/h3-13,15-17,25,27H,1-2,14H2
InChIKeyRSOLHWZYHZEJDX-UHFFFAOYSA-N
XLogP5.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.86
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-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one?
The IUPAC name of 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one (CID 143800605) is 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one?
The canonical SMILES for 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one is C=CC(=O)c1cc(C(=C)CC(O)c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one?
The InChIKey is RSOLHWZYHZEJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-3-24(26)23-16-21(15-22(17-23)19-10-6-4-7-11-19)18(2)14-25(27)20-12-8-5-9-13-20/h3-13,15-17,25,27H,1-2,14H2.
What are the key properties of 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one?
1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one has a molecular weight of 354.45 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one is sourced from PubChem (CID 143800605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).