2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one

C20H17F3O2 — CID 58502801

IUPAC2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C1=C(O)CCC1=O
InChIInChI=1S/C20H17F3O2/c1-2-12-3-4-14(11-16(12)19-17(24)9-10-18(19)25)13-5-7-15(8-6-13)20(21,22)23/h3-8,11,24H,2,9-10H2,1H3
InChIKeyINIBOCVXYCJAPZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.57
Rot. Bonds3

About 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one

2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one (PubChem CID 58502801) has the molecular formula C20H17F3O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one
PubChem CID58502801
Molecular FormulaC20H17F3O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C1=C(O)CCC1=O
InChIInChI=1S/C20H17F3O2/c1-2-12-3-4-14(11-16(12)19-17(24)9-10-18(19)25)13-5-7-15(8-6-13)20(21,22)23/h3-8,11,24H,2,9-10H2,1H3
InChIKeyINIBOCVXYCJAPZ-UHFFFAOYSA-N
XLogP5.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one (CID 58502801) is 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one is CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C1=C(O)CCC1=O.
What is the InChIKey of 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one?
The InChIKey is INIBOCVXYCJAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O2/c1-2-12-3-4-14(11-16(12)19-17(24)9-10-18(19)25)13-5-7-15(8-6-13)20(21,22)23/h3-8,11,24H,2,9-10H2,1H3.
What are the key properties of 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one?
2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one has a molecular weight of 346.35 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-5-[4-(trifluoromethyl)phenyl]phenyl]-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 58502801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).