3-ethenyl-4-phenylchromen-2-one

C17H12O2 — CID 24787269

IUPAC3-ethenyl-4-phenylchromen-2-one
SMILESC=Cc1c(-c2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C17H12O2/c1-2-13-16(12-8-4-3-5-9-12)14-10-6-7-11-15(14)19-17(13)18/h2-11H,1H2
InChIKeyPYGNYOAICVKIQD-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.10
Rot. Bonds2

About 3-ethenyl-4-phenylchromen-2-one

3-ethenyl-4-phenylchromen-2-one (PubChem CID 24787269) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-ethenyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name3-ethenyl-4-phenylchromen-2-one
PubChem CID24787269
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name3-ethenyl-4-phenylchromen-2-one
SMILESC=Cc1c(-c2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C17H12O2/c1-2-13-16(12-8-4-3-5-9-12)14-10-6-7-11-15(14)19-17(13)18/h2-11H,1H2
InChIKeyPYGNYOAICVKIQD-UHFFFAOYSA-N
XLogP4.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-phenylchromen-2-one
CID 617040
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
3-acetyl-4-phenylchromen-2-one
CID 56965161
3-benzoyl-4-phenylchromen-2-one
CID 629843
4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
CID 132820910
3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran
CID 175628427
3-diethoxyphosphoryl-4-phenylchromen-2-one
CID 102142153
4-anilino-3-phenylchromen-2-one
CID 2785512
2-oxo-3-phenylchromene-4-carboxamide
CID 168655029
CID 59413465
CID 59413465
3-phenyl-4-(2H-triazol-4-yl)chromen-2-one
CID 154181703
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-phenylchromen-2-one?
The IUPAC name of 3-ethenyl-4-phenylchromen-2-one (CID 24787269) is 3-ethenyl-4-phenylchromen-2-one.
What is the SMILES notation for 3-ethenyl-4-phenylchromen-2-one?
The canonical SMILES for 3-ethenyl-4-phenylchromen-2-one is C=Cc1c(-c2ccccc2)c2ccccc2oc1=O.
What is the InChIKey of 3-ethenyl-4-phenylchromen-2-one?
The InChIKey is PYGNYOAICVKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c1-2-13-16(12-8-4-3-5-9-12)14-10-6-7-11-15(14)19-17(13)18/h2-11H,1H2.
What are the key properties of 3-ethenyl-4-phenylchromen-2-one?
3-ethenyl-4-phenylchromen-2-one has a molecular weight of 248.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-phenylchromen-2-one is sourced from PubChem (CID 24787269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).