[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid

C16H12FO5P — CID 140966920

IUPAC[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid
SMILESO=c1cc(-c2ccc(CP(=O)(O)O)cc2)oc2ccc(F)cc12
InChIInChI=1S/C16H12FO5P/c17-12-5-6-15-13(7-12)14(18)8-16(22-15)11-3-1-10(2-4-11)9-23(19,20)21/h1-8H,9H2,(H2,19,20,21)
InChIKeyRKWARQVNSCJZCC-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.28
Rot. Bonds3

About [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid

[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid (PubChem CID 140966920) has the molecular formula C16H12FO5P and a molecular weight of 334.24 g/mol. Its IUPAC name is [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid
PubChem CID140966920
Molecular FormulaC16H12FO5P
Molecular Weight334.24 g/mol
Exact Mass334.04
IUPAC Name[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid
SMILESO=c1cc(-c2ccc(CP(=O)(O)O)cc2)oc2ccc(F)cc12
InChIInChI=1S/C16H12FO5P/c17-12-5-6-15-13(7-12)14(18)8-16(22-15)11-3-1-10(2-4-11)9-23(19,20)21/h1-8H,9H2,(H2,19,20,21)
InChIKeyRKWARQVNSCJZCC-UHFFFAOYSA-N
XLogP3.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-6-(2-iminopropyl)chromen-4-one
CID 58097558
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 177477237
6-fluoro-2-(hydroxymethyl)chromen-4-one
CID 14089208
N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide
CID 18568670
2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran
CID 14970263
6-fluoro-4-oxochromene-2-carboxylate
CID 6951269
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
6-benzyl-2-phenylchromen-4-one
CID 90747479
6-ethyl-2-phenylchromen-4-one
CID 10999458
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
N-(4-fluorophenyl)-2-(4-oxo-2-phenylchromen-6-yl)oxyacetamide
CID 44587554
6-bromo-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 71741264

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid?
The IUPAC name of [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid (CID 140966920) is [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid.
What is the SMILES notation for [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid?
The canonical SMILES for [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid is O=c1cc(-c2ccc(CP(=O)(O)O)cc2)oc2ccc(F)cc12.
What is the InChIKey of [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid?
The InChIKey is RKWARQVNSCJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FO5P/c17-12-5-6-15-13(7-12)14(18)8-16(22-15)11-3-1-10(2-4-11)9-23(19,20)21/h1-8H,9H2,(H2,19,20,21).
What are the key properties of [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid?
[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid has a molecular weight of 334.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid is sourced from PubChem (CID 140966920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).