[2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate

C18H13FO4 — CID 8825747

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(OCC(=O)c1cccc(F)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H13FO4/c19-15-6-3-5-12(9-15)16(20)11-23-18(21)14-8-13-4-1-2-7-17(13)22-10-14/h1-9H,10-11H2
InChIKeyFEUUEHOZKSJBEE-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.03
Rot. Bonds4

About [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate

[2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8825747) has the molecular formula C18H13FO4 and a molecular weight of 312.30 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8825747
Molecular FormulaC18H13FO4
Molecular Weight312.30 g/mol
Exact Mass312.08
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(OCC(=O)c1cccc(F)c1)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H13FO4/c19-15-6-3-5-12(9-15)16(20)11-23-18(21)14-8-13-4-1-2-7-17(13)22-10-14/h1-9H,10-11H2
InChIKeyFEUUEHOZKSJBEE-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-difluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743568
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8747947
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-fluorobenzoate
CID 9198451
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 55443748
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741829
(3-cyanophenyl)methyl 2H-chromene-3-carboxylate
CID 8746371
[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
CID 19132570

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8825747) is [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate is O=C(OCC(=O)c1cccc(F)c1)C1=Cc2ccccc2OC1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is FEUUEHOZKSJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO4/c19-15-6-3-5-12(9-15)16(20)11-23-18(21)14-8-13-4-1-2-7-17(13)22-10-14/h1-9H,10-11H2.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8825747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).