(4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone

C17H11ClO2 — CID 102355241

IUPAC(4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C17H11ClO2/c18-12-4-1-10(2-5-12)17(19)11-3-6-13-14(9-11)16-8-7-15(13)20-16/h1-9,15-16H
InChIKeyUCOBYJWPCFPJKB-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.25
Rot. Bonds2

About (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone

(4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone (PubChem CID 102355241) has the molecular formula C17H11ClO2 and a molecular weight of 282.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone
PubChem CID102355241
Molecular FormulaC17H11ClO2
Molecular Weight282.73 g/mol
Exact Mass282.04
IUPAC Name(4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C17H11ClO2/c18-12-4-1-10(2-5-12)17(19)11-3-6-13-14(9-11)16-8-7-15(13)20-16/h1-9,15-16H
InChIKeyUCOBYJWPCFPJKB-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(4-chlorobenzoyl)-2,4-dimethyl-4H-1,2-benzoxazin-3-one
CID 21287888
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde
CID 100926056
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
6-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714875
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 3087782

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone (CID 102355241) is (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone is O=C(c1ccc(Cl)cc1)c1ccc2c(c1)C1C=CC2O1.
What is the InChIKey of (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone?
The InChIKey is UCOBYJWPCFPJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO2/c18-12-4-1-10(2-5-12)17(19)11-3-6-13-14(9-11)16-8-7-15(13)20-16/h1-9,15-16H.
What are the key properties of (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone?
(4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone has a molecular weight of 282.73 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)methanone is sourced from PubChem (CID 102355241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).