2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one

C21H18O2 — CID 141233837

IUPAC2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one
SMILESC=CCc1c(-c2ccccc2)oc2cccc(CC=C)c2c1=O
InChIInChI=1S/C21H18O2/c1-3-9-15-13-8-14-18-19(15)20(22)17(10-4-2)21(23-18)16-11-6-5-7-12-16/h3-8,11-14H,1-2,9-10H2
InChIKeyURONYBDFJAQMLB-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.92
Rot. Bonds5

About 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one

2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one (PubChem CID 141233837) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one.

Molecular Properties

Compound Name2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one
PubChem CID141233837
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one
SMILESC=CCc1c(-c2ccccc2)oc2cccc(CC=C)c2c1=O
InChIInChI=1S/C21H18O2/c1-3-9-15-13-8-14-18-19(15)20(22)17(10-4-2)21(23-18)16-11-6-5-7-12-16/h3-8,11-14H,1-2,9-10H2
InChIKeyURONYBDFJAQMLB-UHFFFAOYSA-N
XLogP4.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15441762
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CID 19102968
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one
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3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
CID 168878132
3-hydroxy-5-pentyl-2-phenylchromen-4-one
CID 67380018
formic acid;1-phenyl-2-prop-2-enylbenzene
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5-phenyl-4-prop-2-enyl-1,2-oxazole
CID 174302799
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
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CID 71463561

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one?
The IUPAC name of 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one (CID 141233837) is 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one.
What is the SMILES notation for 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one?
The canonical SMILES for 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one is C=CCc1c(-c2ccccc2)oc2cccc(CC=C)c2c1=O.
What is the InChIKey of 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one?
The InChIKey is URONYBDFJAQMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-3-9-15-13-8-14-18-19(15)20(22)17(10-4-2)21(23-18)16-11-6-5-7-12-16/h3-8,11-14H,1-2,9-10H2.
What are the key properties of 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one?
2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one has a molecular weight of 302.37 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one is sourced from PubChem (CID 141233837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).