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

C14H9FO3 — CID 167668270

IUPAC4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)c(=O)oc1c(F)c(O)ccc12
InChIInChI=1S/C14H9FO3/c1-7-2-3-8-9-4-5-11(16)12(15)13(9)18-14(17)10(8)6-7/h2-6,16H,1H3
InChIKeyUFHVYMYPEDBTGI-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.10
Rot. Bonds

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

4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one (PubChem CID 167668270) has the molecular formula C14H9FO3 and a molecular weight of 244.22 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one
PubChem CID167668270
Molecular FormulaC14H9FO3
Molecular Weight244.22 g/mol
Exact Mass244.05
IUPAC Name4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)c(=O)oc1c(F)c(O)ccc12
InChIInChI=1S/C14H9FO3/c1-7-2-3-8-9-4-5-11(16)12(15)13(9)18-14(17)10(8)6-7/h2-6,16H,1H3
InChIKeyUFHVYMYPEDBTGI-UHFFFAOYSA-N
XLogP3.10
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-8-(4-methylphenyl)benzo[c]chromen-6-one
CID 141229909
4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one
CID 167637191
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
CID 155119057
4,6,7-trifluorodibenzofuran-3-ol
CID 131993194
4,6-difluoro-7-methoxydibenzofuran-3-ol
CID 118372765
3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one
CID 167635603
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione
CID 70548578
3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
CID 57388516
4,7,8-trihydroxy-3-methylchromen-2-one
CID 57357781
8-amino-7-hydroxy-3,4-dimethylchromen-2-one
CID 124706841

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one?
The IUPAC name of 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one (CID 167668270) is 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one?
The canonical SMILES for 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one is Cc1ccc2c(c1)c(=O)oc1c(F)c(O)ccc12.
What is the InChIKey of 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one?
The InChIKey is UFHVYMYPEDBTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3/c1-7-2-3-8-9-4-5-11(16)12(15)13(9)18-14(17)10(8)6-7/h2-6,16H,1H3.
What are the key properties of 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one?
4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one has a molecular weight of 244.22 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-8-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 167668270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).