5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one

C12H12Cl2O2 — CID 11345954

IUPAC5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
SMILESCCC1(c2ccc(Cl)c(Cl)c2)CCC(=O)O1
InChIInChI=1S/C12H12Cl2O2/c1-2-12(6-5-11(15)16-12)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyWVXCLFCOXWTYDN-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.94
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one

5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one (PubChem CID 11345954) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
PubChem CID11345954
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
SMILESCCC1(c2ccc(Cl)c(Cl)c2)CCC(=O)O1
InChIInChI=1S/C12H12Cl2O2/c1-2-12(6-5-11(15)16-12)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyWVXCLFCOXWTYDN-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
CID 134918786
1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
CID 143403247
4-(3,4-dichlorophenyl)-1-methyl-2-oxabicyclo[2.2.2]octan-3-one
CID 70873684
(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
CID 44513613
ethyl 1-(3,4-dichlorophenyl)-2-oxocyclohexane-1-carboxylate
CID 58954927
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
CID 59825939
CID 59825939
1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene
CID 130646142
1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)butan-2-one
CID 19823701
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
CID 4049256
2-(4-chloro-3-methylphenyl)-2-ethylcyclohexan-1-one
CID 126503281
3-(3,4-dichlorophenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]prop-2-enamide
CID 76869654

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one (CID 11345954) is 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one is CCC1(c2ccc(Cl)c(Cl)c2)CCC(=O)O1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one?
The InChIKey is WVXCLFCOXWTYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c1-2-12(6-5-11(15)16-12)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one?
5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one has a molecular weight of 259.13 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one is sourced from PubChem (CID 11345954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).