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

C19H16ClFO2 — CID 58502800

IUPAC2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(-c2ccc(Cl)cc2F)cc1C1=C(O)CCC1=O
InChIInChI=1S/C19H16ClFO2/c1-2-11-3-4-12(14-6-5-13(20)10-16(14)21)9-15(11)19-17(22)7-8-18(19)23/h3-6,9-10,22H,2,7-8H2,1H3
InChIKeyOLAWHGBDIJSRIK-UHFFFAOYSA-N
MW330.79 g/mol
LogP5.34
Rot. Bonds3

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

2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one (PubChem CID 58502800) has the molecular formula C19H16ClFO2 and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
PubChem CID58502800
Molecular FormulaC19H16ClFO2
Molecular Weight330.79 g/mol
Exact Mass330.08
IUPAC Name2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(-c2ccc(Cl)cc2F)cc1C1=C(O)CCC1=O
InChIInChI=1S/C19H16ClFO2/c1-2-11-3-4-12(14-6-5-13(20)10-16(14)21)9-15(11)19-17(22)7-8-18(19)23/h3-6,9-10,22H,2,7-8H2,1H3
InChIKeyOLAWHGBDIJSRIK-UHFFFAOYSA-N
XLogP5.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.79
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one (CID 58502800) is 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one is CCc1ccc(-c2ccc(Cl)cc2F)cc1C1=C(O)CCC1=O.
What is the InChIKey of 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The InChIKey is OLAWHGBDIJSRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFO2/c1-2-11-3-4-12(14-6-5-13(20)10-16(14)21)9-15(11)19-17(22)7-8-18(19)23/h3-6,9-10,22H,2,7-8H2,1H3.
What are the key properties of 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one has a molecular weight of 330.79 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-2-fluorophenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 58502800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).