8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one

C23H26BrFO2 — CID 141230032

IUPAC8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one
SMILESCCCCCCCCCCc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F
InChIInChI=1S/C23H26BrFO2/c1-2-3-4-5-6-7-8-9-10-16-11-13-19-18-14-12-17(24)15-20(18)23(26)27-22(19)21(16)25/h11-15H,2-10H2,1H3
InChIKeyKVCQIFHVISJQLH-UHFFFAOYSA-N
MW433.36 g/mol
LogP7.53
Rot. Bonds9

About 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one

8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one (PubChem CID 141230032) has the molecular formula C23H26BrFO2 and a molecular weight of 433.36 g/mol. Its IUPAC name is 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one
PubChem CID141230032
Molecular FormulaC23H26BrFO2
Molecular Weight433.36 g/mol
Exact Mass432.11
IUPAC Name8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one
SMILESCCCCCCCCCCc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F
InChIInChI=1S/C23H26BrFO2/c1-2-3-4-5-6-7-8-9-10-16-11-13-19-18-14-12-17(24)15-20(18)23(26)27-22(19)21(16)25/h11-15H,2-10H2,1H3
InChIKeyKVCQIFHVISJQLH-UHFFFAOYSA-N
XLogP7.53
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.36
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-bromo-3-decyl-4-fluorobenzo[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

[3-(5,5-Dimethyl-3,6-dioxocyclohexen-1-yl)phenyl] 4-bromobenzoate
CID 46904842
(7-Methyl-2-oxochromen-4-yl)methyl 2-bromobenzoate
CID 2627647
6-Bromo-5,7-dimethyl-4-(4-methylphenyl)-3,4-dihydrochromen-2-one
CID 17756803
8-Bromo-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 24806232
8-Bromo-1-(4-fluorophenyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 24806235
8-Bromo-1-(3-fluorophenyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 24806426
8-Bromo-1-(3-fluoro-4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 24806431
5-bromo-3,4-dimethyl-9H-xanthen-9-one
CID 59287847
[4-[4-(4-Bromophenyl)benzoyl]phenyl] acetate
CID 478909
8-Bromo-1,2-dihydro-benzo[f]chromen-3-one
CID 12146130
8-Bromo-1-(3,4-difluorophenyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 24806236
8-Bromo-1-(4-tert-butylphenyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 24806428

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one?
The IUPAC name of 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one (CID 141230032) is 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one.
What is the SMILES notation for 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one?
The canonical SMILES for 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one is CCCCCCCCCCc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F.
What is the InChIKey of 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one?
The InChIKey is KVCQIFHVISJQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrFO2/c1-2-3-4-5-6-7-8-9-10-16-11-13-19-18-14-12-17(24)15-20(18)23(26)27-22(19)21(16)25/h11-15H,2-10H2,1H3.
What are the key properties of 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one?
8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one has a molecular weight of 433.36 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-decyl-4-fluorobenzo[c]chromen-6-one is sourced from PubChem (CID 141230032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).