8-acetyl-7-phenylmethoxychromen-2-one

C18H14O4 — CID 14101447

IUPAC8-acetyl-7-phenylmethoxychromen-2-one
SMILESCC(=O)c1c(OCc2ccccc2)ccc2ccc(=O)oc12
InChIInChI=1S/C18H14O4/c1-12(19)17-15(21-11-13-5-3-2-4-6-13)9-7-14-8-10-16(20)22-18(14)17/h2-10H,11H2,1H3
InChIKeyQMLSJCDSHGYBMT-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.57
Rot. Bonds4

About 8-acetyl-7-phenylmethoxychromen-2-one

8-acetyl-7-phenylmethoxychromen-2-one (PubChem CID 14101447) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 8-acetyl-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name8-acetyl-7-phenylmethoxychromen-2-one
PubChem CID14101447
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name8-acetyl-7-phenylmethoxychromen-2-one
SMILESCC(=O)c1c(OCc2ccccc2)ccc2ccc(=O)oc12
InChIInChI=1S/C18H14O4/c1-12(19)17-15(21-11-13-5-3-2-4-6-13)9-7-14-8-10-16(20)22-18(14)17/h2-10H,11H2,1H3
InChIKeyQMLSJCDSHGYBMT-UHFFFAOYSA-N
XLogP3.57
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-acetyl-7-phenylmethoxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-7-phenylmethoxychromen-2-one?
The IUPAC name of 8-acetyl-7-phenylmethoxychromen-2-one (CID 14101447) is 8-acetyl-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 8-acetyl-7-phenylmethoxychromen-2-one?
The canonical SMILES for 8-acetyl-7-phenylmethoxychromen-2-one is CC(=O)c1c(OCc2ccccc2)ccc2ccc(=O)oc12.
What is the InChIKey of 8-acetyl-7-phenylmethoxychromen-2-one?
The InChIKey is QMLSJCDSHGYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-12(19)17-15(21-11-13-5-3-2-4-6-13)9-7-14-8-10-16(20)22-18(14)17/h2-10H,11H2,1H3.
What are the key properties of 8-acetyl-7-phenylmethoxychromen-2-one?
8-acetyl-7-phenylmethoxychromen-2-one has a molecular weight of 294.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 14101447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).