3-benzoyl-4-hydroxychromen-2-one

C16H10O4 — CID 135407308

IUPAC3-benzoyl-4-hydroxychromen-2-one
SMILESO=C(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H10O4/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)20-16(13)19/h1-9,18H
InChIKeyNPVPEQPHXNHHGZ-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.73
Rot. Bonds2

About 3-benzoyl-4-hydroxychromen-2-one

3-benzoyl-4-hydroxychromen-2-one (PubChem CID 135407308) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-benzoyl-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-benzoyl-4-hydroxychromen-2-one
PubChem CID135407308
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name3-benzoyl-4-hydroxychromen-2-one
SMILESO=C(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H10O4/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)20-16(13)19/h1-9,18H
InChIKeyNPVPEQPHXNHHGZ-UHFFFAOYSA-N
XLogP2.73
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzoyl-4-phenylchromen-2-one
CID 629843
3-(benzenecarboximidoyl)-4-hydroxychromen-2-one
CID 136744642
N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54706041
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one
CID 122379715
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
1-(4-hydroxy-2-oxochromen-3-yl)-2-thiophen-2-ylethane-1,2-dione
CID 54709877
4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
CID 153315843
4-hydroxy-3-methylchromen-2-one
CID 54687016
4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]chromen-2-one
CID 162651588
3-[2-(4-chlorophenoxy)acetyl]-4-hydroxychromen-2-one
CID 54684404
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-hydroxychromen-2-one?
The IUPAC name of 3-benzoyl-4-hydroxychromen-2-one (CID 135407308) is 3-benzoyl-4-hydroxychromen-2-one.
What is the SMILES notation for 3-benzoyl-4-hydroxychromen-2-one?
The canonical SMILES for 3-benzoyl-4-hydroxychromen-2-one is O=C(c1ccccc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 3-benzoyl-4-hydroxychromen-2-one?
The InChIKey is NPVPEQPHXNHHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)20-16(13)19/h1-9,18H.
What are the key properties of 3-benzoyl-4-hydroxychromen-2-one?
3-benzoyl-4-hydroxychromen-2-one has a molecular weight of 266.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-hydroxychromen-2-one is sourced from PubChem (CID 135407308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).