(4-chlorophenyl)-(oxolan-2-yl)methanone

C11H11ClO2 — CID 43160403

IUPAC(4-chlorophenyl)-(oxolan-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C11H11ClO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10H,1-2,7H2
InChIKeyZIQITBPMGMRZFF-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.70
Rot. Bonds2

About (4-chlorophenyl)-(oxolan-2-yl)methanone

(4-chlorophenyl)-(oxolan-2-yl)methanone (PubChem CID 43160403) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (4-chlorophenyl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(oxolan-2-yl)methanone
PubChem CID43160403
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(4-chlorophenyl)-(oxolan-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C11H11ClO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10H,1-2,7H2
InChIKeyZIQITBPMGMRZFF-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(oxolan-2-yl)methanone (CID 43160403) is (4-chlorophenyl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(oxolan-2-yl)methanone is O=C(c1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of (4-chlorophenyl)-(oxolan-2-yl)methanone?
The InChIKey is ZIQITBPMGMRZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10H,1-2,7H2.
What are the key properties of (4-chlorophenyl)-(oxolan-2-yl)methanone?
(4-chlorophenyl)-(oxolan-2-yl)methanone has a molecular weight of 210.66 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 43160403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).