3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one

C17H12O3 — CID 735040

IUPAC3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1c(O)c(/C=C/c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H12O3/c18-16-13-8-4-5-9-14(13)20-15(17(16)19)11-10-12-6-2-1-3-7-12/h1-11,19H/b11-10+
InChIKeyFVCHDTCZUBXONT-ZHACJKMWSA-N
MW264.28 g/mol
LogP3.67
Rot. Bonds2

About 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one

3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one (PubChem CID 735040) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
PubChem CID735040
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1c(O)c(/C=C/c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H12O3/c18-16-13-8-4-5-9-14(13)20-15(17(16)19)11-10-12-6-2-1-3-7-12/h1-11,19H/b11-10+
InChIKeyFVCHDTCZUBXONT-ZHACJKMWSA-N
XLogP3.67
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
[2-[(E)-2-phenylethenyl]-1-benzofuran-3-yl]methanol
CID 11265190
[4-oxo-2-(2-phenylethenyl)chromen-3-yl] thiophene-2-carboxylate
CID 164576280
2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
CID 15461730
3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
CID 174928168
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one
CID 54685683
3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran
CID 102483840
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one
CID 137391761
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione
CID 91203784
carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
CID 46933843

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one?
The IUPAC name of 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one (CID 735040) is 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one?
The canonical SMILES for 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one is O=c1c(O)c(/C=C/c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one?
The InChIKey is FVCHDTCZUBXONT-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H12O3/c18-16-13-8-4-5-9-14(13)20-15(17(16)19)11-10-12-6-2-1-3-7-12/h1-11,19H/b11-10+.
What are the key properties of 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one?
3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one has a molecular weight of 264.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one is sourced from PubChem (CID 735040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).