(3-chlorophenyl)-(oxan-3-yl)methanone

C12H13ClO2 — CID 65332391

IUPAC(3-chlorophenyl)-(oxan-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCCOC1
InChIInChI=1S/C12H13ClO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h1,3,5,7,10H,2,4,6,8H2
InChIKeyHOJBTZHETATDHR-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.95
Rot. Bonds2

About (3-chlorophenyl)-(oxan-3-yl)methanone

(3-chlorophenyl)-(oxan-3-yl)methanone (PubChem CID 65332391) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (3-chlorophenyl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(oxan-3-yl)methanone
PubChem CID65332391
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(3-chlorophenyl)-(oxan-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCCOC1
InChIInChI=1S/C12H13ClO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h1,3,5,7,10H,2,4,6,8H2
InChIKeyHOJBTZHETATDHR-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-3-yl(phenyl)methanone
CID 63011351
(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride
CID 122164181
(3-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79912670
(3-iodophenyl)-(oxolan-3-yl)methanone
CID 114972035
2-(3-chlorophenoxy)-1-(oxan-3-yl)propan-1-one
CID 107138560
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
CID 114964124
(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
CID 105082691
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
CID 70315573
CID 70315573

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(oxan-3-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(oxan-3-yl)methanone (CID 65332391) is (3-chlorophenyl)-(oxan-3-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(oxan-3-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(oxan-3-yl)methanone is O=C(c1cccc(Cl)c1)C1CCCOC1.
What is the InChIKey of (3-chlorophenyl)-(oxan-3-yl)methanone?
The InChIKey is HOJBTZHETATDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h1,3,5,7,10H,2,4,6,8H2.
What are the key properties of (3-chlorophenyl)-(oxan-3-yl)methanone?
(3-chlorophenyl)-(oxan-3-yl)methanone has a molecular weight of 224.69 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(oxan-3-yl)methanone is sourced from PubChem (CID 65332391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).