4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one

C21H15FO2 — CID 141229909

IUPAC4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one
SMILESCc1ccc(-c2ccc3c(c2)c(=O)oc2c(F)c(C)ccc23)cc1
InChIInChI=1S/C21H15FO2/c1-12-3-6-14(7-4-12)15-8-10-16-17-9-5-13(2)19(22)20(17)24-21(23)18(16)11-15/h3-11H,1-2H3
InChIKeyGFQIFIMYRHMXPZ-UHFFFAOYSA-N
MW318.35 g/mol
LogP5.37
Rot. Bonds1

About 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one

4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one (PubChem CID 141229909) has the molecular formula C21H15FO2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one
PubChem CID141229909
Molecular FormulaC21H15FO2
Molecular Weight318.35 g/mol
Exact Mass318.11
IUPAC Name4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one
SMILESCc1ccc(-c2ccc3c(c2)c(=O)oc2c(F)c(C)ccc23)cc1
InChIInChI=1S/C21H15FO2/c1-12-3-6-14(7-4-12)15-8-10-16-17-9-5-13(2)19(22)20(17)24-21(23)18(16)11-15/h3-11H,1-2H3
InChIKeyGFQIFIMYRHMXPZ-UHFFFAOYSA-N
XLogP5.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.37
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

4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167668270
4-fluoro-8-(4-heptylphenyl)-3-hexylbenzo[c]chromen-6-one
CID 141230103
4-fluoro-8-(4-hexylphenyl)-3-nonylbenzo[c]chromen-6-one
CID 141229950
4-fluoro-3-heptyl-8-(4-hexylphenyl)benzo[c]chromen-6-one
CID 141230138
3-decyl-4-fluoro-8-(4-pentylphenyl)benzo[c]chromen-6-one
CID 141229931
4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one
CID 167637191
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
8,9-dimethyl-2-phenylbenzo[c]chromen-6-one
CID 164686322
2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione
CID 58518204
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one?
The IUPAC name of 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one (CID 141229909) is 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one.
What is the SMILES notation for 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one?
The canonical SMILES for 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one is Cc1ccc(-c2ccc3c(c2)c(=O)oc2c(F)c(C)ccc23)cc1.
What is the InChIKey of 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one?
The InChIKey is GFQIFIMYRHMXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO2/c1-12-3-6-14(7-4-12)15-8-10-16-17-9-5-13(2)19(22)20(17)24-21(23)18(16)11-15/h3-11H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one?
4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one has a molecular weight of 318.35 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one is sourced from PubChem (CID 141229909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).