8-acetyl-7-hydroxychromen-2-one

C11H8O4 — CID 5411574

IUPAC8-acetyl-7-hydroxychromen-2-one
SMILESCC(=O)c1c(O)ccc2ccc(=O)oc12
InChIInChI=1S/C11H8O4/c1-6(12)10-8(13)4-2-7-3-5-9(14)15-11(7)10/h2-5,13H,1H3
InChIKeyXWYMACPLPPQCHC-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.70
Rot. Bonds1

About 8-acetyl-7-hydroxychromen-2-one

8-acetyl-7-hydroxychromen-2-one (PubChem CID 5411574) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 8-acetyl-7-hydroxychromen-2-one.

Molecular Properties

Compound Name8-acetyl-7-hydroxychromen-2-one
PubChem CID5411574
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name8-acetyl-7-hydroxychromen-2-one
SMILESCC(=O)c1c(O)ccc2ccc(=O)oc12
InChIInChI=1S/C11H8O4/c1-6(12)10-8(13)4-2-7-3-5-9(14)15-11(7)10/h2-5,13H,1H3
InChIKeyXWYMACPLPPQCHC-UHFFFAOYSA-N
XLogP1.70
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.70
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

8-acetyl-7-ethylchromen-2-one
CID 71718249
8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one
CID 102282263
8-acetyl-6-hydroxy-7-methoxychromen-2-one
CID 161217673
ethyl 8-acetyl-2-oxochromene-7-carboxylate
CID 101430630
7-hydroxy-8-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]chromen-2-one
CID 10979753
8-acetyl-7-(4-methylbenzoyl)chromen-2-one
CID 23649892
butanedioic acid;bis(7,8-dihydroxychromen-2-one)
CID 174471020
2-(8-acetyl-6-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 13298940
8-hydroxy-7-methylchromen-2-one
CID 145496971
7-hydroxy-8-(2-methyliminoethyl)chromen-2-one
CID 167020442
1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone
CID 123728474
7-hydroxy-8-(3-hydroxypropyl)chromen-2-one
CID 145469984

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-7-hydroxychromen-2-one?
The IUPAC name of 8-acetyl-7-hydroxychromen-2-one (CID 5411574) is 8-acetyl-7-hydroxychromen-2-one.
What is the SMILES notation for 8-acetyl-7-hydroxychromen-2-one?
The canonical SMILES for 8-acetyl-7-hydroxychromen-2-one is CC(=O)c1c(O)ccc2ccc(=O)oc12.
What is the InChIKey of 8-acetyl-7-hydroxychromen-2-one?
The InChIKey is XWYMACPLPPQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c1-6(12)10-8(13)4-2-7-3-5-9(14)15-11(7)10/h2-5,13H,1H3.
What are the key properties of 8-acetyl-7-hydroxychromen-2-one?
8-acetyl-7-hydroxychromen-2-one has a molecular weight of 204.18 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-7-hydroxychromen-2-one is sourced from PubChem (CID 5411574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).