2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one

C19H15ClF2O2 — CID 58502793

IUPAC2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(-c2cc(Cl)c(F)cc2F)cc1C1=C(O)CCC1=O
InChIInChI=1S/C19H15ClF2O2/c1-2-10-3-4-11(12-8-14(20)16(22)9-15(12)21)7-13(10)19-17(23)5-6-18(19)24/h3-4,7-9,23H,2,5-6H2,1H3
InChIKeyZGAISSFYJKKQJU-UHFFFAOYSA-N
MW348.78 g/mol
LogP5.48
Rot. Bonds3

About 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one

2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one (PubChem CID 58502793) has the molecular formula C19H15ClF2O2 and a molecular weight of 348.78 g/mol. Its IUPAC name is 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
PubChem CID58502793
Molecular FormulaC19H15ClF2O2
Molecular Weight348.78 g/mol
Exact Mass348.07
IUPAC Name2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(-c2cc(Cl)c(F)cc2F)cc1C1=C(O)CCC1=O
InChIInChI=1S/C19H15ClF2O2/c1-2-10-3-4-11(12-8-14(20)16(22)9-15(12)21)7-13(10)19-17(23)5-6-18(19)24/h3-4,7-9,23H,2,5-6H2,1H3
InChIKeyZGAISSFYJKKQJU-UHFFFAOYSA-N
XLogP5.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.78
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one (CID 58502793) is 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one is CCc1ccc(-c2cc(Cl)c(F)cc2F)cc1C1=C(O)CCC1=O.
What is the InChIKey of 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The InChIKey is ZGAISSFYJKKQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2O2/c1-2-10-3-4-11(12-8-14(20)16(22)9-15(12)21)7-13(10)19-17(23)5-6-18(19)24/h3-4,7-9,23H,2,5-6H2,1H3.
What are the key properties of 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one has a molecular weight of 348.78 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2,4-difluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 58502793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).