(4-methylphenyl)-phenylmethanone

C14H12O — CID 8652

IUPAC(4-methylphenyl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyWXPWZZHELZEVPO-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.23
Rot. Bonds2

About (4-methylphenyl)-phenylmethanone

(4-methylphenyl)-phenylmethanone (PubChem CID 8652) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is (4-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-methylphenyl)-phenylmethanone
PubChem CID8652
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name(4-methylphenyl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyWXPWZZHELZEVPO-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-phenylmethanone?
The IUPAC name of (4-methylphenyl)-phenylmethanone (CID 8652) is (4-methylphenyl)-phenylmethanone.
What is the SMILES notation for (4-methylphenyl)-phenylmethanone?
The canonical SMILES for (4-methylphenyl)-phenylmethanone is Cc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-phenylmethanone?
The InChIKey is WXPWZZHELZEVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of (4-methylphenyl)-phenylmethanone?
(4-methylphenyl)-phenylmethanone has a molecular weight of 196.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-phenylmethanone is sourced from PubChem (CID 8652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).