8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one

C23H17FO5 — CID 11999750

IUPAC8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one
SMILESCOc1cc2c(cc1OCc1ccc(F)cc1)oc(=O)c1cc(C(C)=O)ccc12
InChIInChI=1S/C23H17FO5/c1-13(25)15-5-8-17-18-10-21(27-2)22(11-20(18)29-23(26)19(17)9-15)28-12-14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3
InChIKeyFOLCIQQTUKUDBB-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.88
Rot. Bonds5

About 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one

8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one (PubChem CID 11999750) has the molecular formula C23H17FO5 and a molecular weight of 392.38 g/mol. Its IUPAC name is 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one
PubChem CID11999750
Molecular FormulaC23H17FO5
Molecular Weight392.38 g/mol
Exact Mass392.11
IUPAC Name8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one
SMILESCOc1cc2c(cc1OCc1ccc(F)cc1)oc(=O)c1cc(C(C)=O)ccc12
InChIInChI=1S/C23H17FO5/c1-13(25)15-5-8-17-18-10-21(27-2)22(11-20(18)29-23(26)19(17)9-15)28-12-14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3
InChIKeyFOLCIQQTUKUDBB-UHFFFAOYSA-N
XLogP4.88
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one with MolForge

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

Launch Full Analysis

Related Compounds

8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one
CID 20596096
8-(2-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 66645164
8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one
CID 11999627
8-acetyl-3-(3,4-dihydropyridin-3-ylmethoxy)-2-methoxybenzo[c]chromen-6-one
CID 89367452
3-[(4-benzoylphenyl)methoxy]-8-(4-hydroxybutan-2-yl)-2-methoxybenzo[c]chromen-6-one
CID 154040845
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone
CID 71158672
[4-[(8-acetyl-3-hydroxy-2-methoxy-6-oxobenzo[c]chromen-4-yl)methyl]phenyl] acetate
CID 11999398
3-[(3,5-dimethoxyphenyl)methoxy]-8-(2-hydroxybutan-2-yl)-2-methoxybenzo[c]chromen-6-one
CID 53374452
3,6-dichloro-7-[(4-fluorophenyl)methoxy]-4-methylchromen-2-one
CID 1346941
1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 79671185

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one?
The IUPAC name of 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one (CID 11999750) is 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one.
What is the SMILES notation for 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one?
The canonical SMILES for 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one is COc1cc2c(cc1OCc1ccc(F)cc1)oc(=O)c1cc(C(C)=O)ccc12.
What is the InChIKey of 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one?
The InChIKey is FOLCIQQTUKUDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FO5/c1-13(25)15-5-8-17-18-10-21(27-2)22(11-20(18)29-23(26)19(17)9-15)28-12-14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3.
What are the key properties of 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one?
8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one has a molecular weight of 392.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one is sourced from PubChem (CID 11999750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).