5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one

C17H12Cl2O3 — CID 86070545

IUPAC5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one
SMILESO=C1CCC(C(=O)c2ccccc2Cl)(c2ccccc2Cl)O1
InChIInChI=1S/C17H12Cl2O3/c18-13-7-3-1-5-11(13)16(21)17(10-9-15(20)22-17)12-6-2-4-8-14(12)19/h1-8H,9-10H2
InChIKeyOPWQVLLLQKDJPV-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.41
Rot. Bonds3

About 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one

5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one (PubChem CID 86070545) has the molecular formula C17H12Cl2O3 and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one
PubChem CID86070545
Molecular FormulaC17H12Cl2O3
Molecular Weight335.19 g/mol
Exact Mass334.02
IUPAC Name5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one
SMILESO=C1CCC(C(=O)c2ccccc2Cl)(c2ccccc2Cl)O1
InChIInChI=1S/C17H12Cl2O3/c18-13-7-3-1-5-11(13)16(21)17(10-9-15(20)22-17)12-6-2-4-8-14(12)19/h1-8H,9-10H2
InChIKeyOPWQVLLLQKDJPV-UHFFFAOYSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(2-chlorophenyl)methanone
CID 116576455
[2-(2-chlorophenyl)oxiran-2-yl]-(2-prop-2-ynoxyphenyl)methanone
CID 102279686
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid
CID 115042902
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
4-(2-chlorophenyl)oxan-4-ol
CID 63220219
(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79059436
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
CID 76967267
3,3-bis(2-chlorophenyl)cyclopentan-1-one
CID 142095772
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
4-(2-chlorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681779
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one?
The IUPAC name of 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one (CID 86070545) is 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one.
What is the SMILES notation for 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one?
The canonical SMILES for 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one is O=C1CCC(C(=O)c2ccccc2Cl)(c2ccccc2Cl)O1.
What is the InChIKey of 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one?
The InChIKey is OPWQVLLLQKDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O3/c18-13-7-3-1-5-11(13)16(21)17(10-9-15(20)22-17)12-6-2-4-8-14(12)19/h1-8H,9-10H2.
What are the key properties of 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one?
5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one has a molecular weight of 335.19 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one is sourced from PubChem (CID 86070545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).