[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate

C19H12ClFO6 — CID 8877631

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1F
InChIInChI=1S/C19H12ClFO6/c1-25-17-4-2-10(6-13(17)21)15(23)9-26-19(24)18-8-14(22)12-7-11(20)3-5-16(12)27-18/h2-8H,9H2,1H3
InChIKeySOUGNMUZFOZPJB-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.63
Rot. Bonds5

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate (PubChem CID 8877631) has the molecular formula C19H12ClFO6 and a molecular weight of 390.75 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
PubChem CID8877631
Molecular FormulaC19H12ClFO6
Molecular Weight390.75 g/mol
Exact Mass390.03
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1F
InChIInChI=1S/C19H12ClFO6/c1-25-17-4-2-10(6-13(17)21)15(23)9-26-19(24)18-8-14(22)12-7-11(20)3-5-16(12)27-18/h2-8H,9H2,1H3
InChIKeySOUGNMUZFOZPJB-UHFFFAOYSA-N
XLogP3.63
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877018
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876751
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590659
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877430
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8588920
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55375066
6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
CID 99585387
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8730398
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876830
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate (CID 8877631) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate is COc1ccc(C(=O)COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate?
The InChIKey is SOUGNMUZFOZPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFO6/c1-25-17-4-2-10(6-13(17)21)15(23)9-26-19(24)18-8-14(22)12-7-11(20)3-5-16(12)27-18/h2-8H,9H2,1H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate has a molecular weight of 390.75 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8877631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).