(3-chlorophenyl)-(4-methylphenyl)methanone

C14H11ClO — CID 25950

IUPAC(3-chlorophenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H11ClO/c1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(15)9-12/h2-9H,1H3
InChIKeyMVYBBEGJXRCIGB-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.88
Rot. Bonds2

About (3-chlorophenyl)-(4-methylphenyl)methanone

(3-chlorophenyl)-(4-methylphenyl)methanone (PubChem CID 25950) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-methylphenyl)methanone
PubChem CID25950
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name(3-chlorophenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H11ClO/c1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(15)9-12/h2-9H,1H3
InChIKeyMVYBBEGJXRCIGB-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-methylphenyl)methanone?
The IUPAC name of (3-chlorophenyl)-(4-methylphenyl)methanone (CID 25950) is (3-chlorophenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of (3-chlorophenyl)-(4-methylphenyl)methanone?
The InChIKey is MVYBBEGJXRCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(15)9-12/h2-9H,1H3.
What are the key properties of (3-chlorophenyl)-(4-methylphenyl)methanone?
(3-chlorophenyl)-(4-methylphenyl)methanone has a molecular weight of 230.69 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 25950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).