[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone

C19H19ClO — CID 58080078

IUPAC[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone
SMILESO=C(c1ccccc1-c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C19H19ClO/c20-16-12-10-14(11-13-16)17-8-4-5-9-18(17)19(21)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2
InChIKeyMLTFQTDUBDSLBK-UHFFFAOYSA-N
MW298.81 g/mol
LogP5.77
Rot. Bonds3

About [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone

[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone (PubChem CID 58080078) has the molecular formula C19H19ClO and a molecular weight of 298.81 g/mol. Its IUPAC name is [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone
PubChem CID58080078
Molecular FormulaC19H19ClO
Molecular Weight298.81 g/mol
Exact Mass298.11
IUPAC Name[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone
SMILESO=C(c1ccccc1-c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C19H19ClO/c20-16-12-10-14(11-13-16)17-8-4-5-9-18(17)19(21)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2
InChIKeyMLTFQTDUBDSLBK-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.81
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone?
The IUPAC name of [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone (CID 58080078) is [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone is O=C(c1ccccc1-c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone?
The InChIKey is MLTFQTDUBDSLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO/c20-16-12-10-14(11-13-16)17-8-4-5-9-18(17)19(21)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2.
What are the key properties of [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone?
[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone has a molecular weight of 298.81 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)phenyl]-cyclohexylmethanone is sourced from PubChem (CID 58080078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).