8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one

C14H8BrFO2 — CID 141230039

IUPAC8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F
InChIInChI=1S/C14H8BrFO2/c1-7-2-4-10-9-5-3-8(15)6-11(9)14(17)18-13(10)12(7)16/h2-6H,1H3
InChIKeyPXSFLJNWEVTCPU-UHFFFAOYSA-N
MW307.12 g/mol
LogP4.16
Rot. Bonds

About 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one

8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one (PubChem CID 141230039) has the molecular formula C14H8BrFO2 and a molecular weight of 307.12 g/mol. Its IUPAC name is 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one
PubChem CID141230039
Molecular FormulaC14H8BrFO2
Molecular Weight307.12 g/mol
Exact Mass305.97
IUPAC Name8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F
InChIInChI=1S/C14H8BrFO2/c1-7-2-4-10-9-5-3-8(15)6-11(9)14(17)18-13(10)12(7)16/h2-6H,1H3
InChIKeyPXSFLJNWEVTCPU-UHFFFAOYSA-N
XLogP4.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
2-Fluoro-6h-benzo[c]chromen-6-one
CID 263572
5-bromo-3,4-dimethyl-9H-xanthen-9-one
CID 59287847
8-Bromo-1,2-dihydro-benzo[f]chromen-3-one
CID 12146130
2-(2-Bromo-5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
CID 168295365
3-(Trifluoromethyl)-6H-benzo[c]chromen-6-one
CID 102144781
3-Fluoro-9-methylbenzo[c]chromen-6-one
CID 159369298

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one?
The IUPAC name of 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one (CID 141230039) is 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one?
The canonical SMILES for 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one is Cc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F.
What is the InChIKey of 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one?
The InChIKey is PXSFLJNWEVTCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFO2/c1-7-2-4-10-9-5-3-8(15)6-11(9)14(17)18-13(10)12(7)16/h2-6H,1H3.
What are the key properties of 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one?
8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one has a molecular weight of 307.12 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-fluoro-3-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 141230039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).