3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one

C7H9ClO2 — CID 15372161

IUPAC3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one
SMILESCCC1(O)CC(=O)C=C1Cl
InChIInChI=1S/C7H9ClO2/c1-2-7(10)4-5(9)3-6(7)8/h3,10H,2,4H2,1H3
InChIKeyLTAZPMWYGJBLEI-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.22
Rot. Bonds1

About 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one

3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one (PubChem CID 15372161) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one
PubChem CID15372161
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one
SMILESCCC1(O)CC(=O)C=C1Cl
InChIInChI=1S/C7H9ClO2/c1-2-7(10)4-5(9)3-6(7)8/h3,10H,2,4H2,1H3
InChIKeyLTAZPMWYGJBLEI-UHFFFAOYSA-N
XLogP1.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopenten-1-one, 2,3-dichloro-4-hydroxy-4-(2-propenyl)-
CID 5324036
2,3-Dichloro-4-hydroxy-4-[(z)-2-octenyl]-2-cyclopentenone
CID 15480479
4-Tert-butyl-3-chloro-4-hydroxycyclopent-2-en-1-one
CID 10954309
4-Allyl-2-chloro-4-hydroxy-2-cyclopentenone
CID 11275293
2,3-Dichloro-4-ethenyl-4-hydroxycyclopent-2-en-1-one
CID 12115150
2,3-Dichloro-4-hydroxy-4-(2-octynyl)-2-cyclo-pentenone
CID 12115152
3-Chloro-4-hydroxy-4-propan-2-ylcyclopent-2-en-1-one
CID 15372162
3-Chloro-4-hydroxy-4-(2-methylpropyl)cyclopent-2-en-1-one
CID 15372163
3-Chloro-4-cyclopropyl-4-hydroxycyclopent-2-en-1-one
CID 15372165
(4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one
CID 101489156
(4S)-2,3-dichloro-4-hydroxy-4-prop-2-enylcyclopent-2-en-1-one
CID 15939109
2-Chloro-4-hydroxy-4-oct-2-ynylcyclopent-2-en-1-one
CID 11356894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one (CID 15372161) is 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one is CCC1(O)CC(=O)C=C1Cl.
What is the InChIKey of 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one?
The InChIKey is LTAZPMWYGJBLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-2-7(10)4-5(9)3-6(7)8/h3,10H,2,4H2,1H3.
What are the key properties of 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one?
3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one has a molecular weight of 160.60 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 15372161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).