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

C19H17ClO3 — CID 58061466

IUPAC2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(Oc2ccc(Cl)cc2)cc1C1=C(O)CCC1=O
InChIInChI=1S/C19H17ClO3/c1-2-12-3-6-15(23-14-7-4-13(20)5-8-14)11-16(12)19-17(21)9-10-18(19)22/h3-8,11,21H,2,9-10H2,1H3
InChIKeyYZZJWJHBNZSYKJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP5.33
Rot. Bonds4

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

2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one (PubChem CID 58061466) has the molecular formula C19H17ClO3 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
PubChem CID58061466
Molecular FormulaC19H17ClO3
Molecular Weight328.80 g/mol
Exact Mass328.09
IUPAC Name2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(Oc2ccc(Cl)cc2)cc1C1=C(O)CCC1=O
InChIInChI=1S/C19H17ClO3/c1-2-12-3-6-15(23-14-7-4-13(20)5-8-14)11-16(12)19-17(21)9-10-18(19)22/h3-8,11,21H,2,9-10H2,1H3
InChIKeyYZZJWJHBNZSYKJ-UHFFFAOYSA-N
XLogP5.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-bromophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
CID 58061457
2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 58061273
2-[5-(4-bromophenoxy)-2-ethylphenyl]-3-hydroxycyclohex-2-en-1-one
CID 58061132
2-[2-ethyl-5-(4-fluorophenoxy)phenyl]-3-hydroxycyclohex-2-en-1-one
CID 58061168
2-[5-(4-chloro-2-methylphenyl)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one
CID 58502799
4-[5-(4-chlorophenoxy)-2-ethylphenyl]-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 58061165
2-[5-(4-chloro-3-fluorophenoxy)-2-ethylphenyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 58061103
2-[5-(4-chloro-3-fluorophenoxy)-2-ethylphenyl]-3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 58061160
2-[5-(2,4-dichlorophenoxy)-2-ethylphenyl]-3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 58061379
2-[2-ethyl-5-[(6-nitro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-hydroxycyclopent-2-en-1-one
CID 58061512
2-[5-(6-chloroquinoxalin-2-yl)oxy-2-ethylphenyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 58061238
(1R,2R,6S,7S)-4-[5-(4-chloro-3-fluorophenoxy)-2-ethylphenyl]-5-hydroxytricyclo[5.2.1.02,6]dec-4-en-3-one
CID 58061452

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one (CID 58061466) is 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one is CCc1ccc(Oc2ccc(Cl)cc2)cc1C1=C(O)CCC1=O.
What is the InChIKey of 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
The InChIKey is YZZJWJHBNZSYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO3/c1-2-12-3-6-15(23-14-7-4-13(20)5-8-14)11-16(12)19-17(21)9-10-18(19)22/h3-8,11,21H,2,9-10H2,1H3.
What are the key properties of 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one?
2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one has a molecular weight of 328.80 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenoxy)-2-ethylphenyl]-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 58061466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).