(4-chlorophenyl)-phenylmethanone

C13H9ClO — CID 8653

IUPAC(4-chlorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKeyUGVRJVHOJNYEHR-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.57
Rot. Bonds2

About (4-chlorophenyl)-phenylmethanone

(4-chlorophenyl)-phenylmethanone (PubChem CID 8653) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is (4-chlorophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-phenylmethanone
PubChem CID8653
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name(4-chlorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKeyUGVRJVHOJNYEHR-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-phenylmethanone?
The IUPAC name of (4-chlorophenyl)-phenylmethanone (CID 8653) is (4-chlorophenyl)-phenylmethanone.
What is the SMILES notation for (4-chlorophenyl)-phenylmethanone?
The canonical SMILES for (4-chlorophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-phenylmethanone?
The InChIKey is UGVRJVHOJNYEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (4-chlorophenyl)-phenylmethanone?
(4-chlorophenyl)-phenylmethanone has a molecular weight of 216.67 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-phenylmethanone is sourced from PubChem (CID 8653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).