(4-ethylphenyl)-phenylmethanone

C15H14O — CID 28968

IUPAC(4-ethylphenyl)-phenylmethanone
SMILESCCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyIJUPTKULISHEID-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.48
Rot. Bonds3

About (4-ethylphenyl)-phenylmethanone

(4-ethylphenyl)-phenylmethanone (PubChem CID 28968) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is (4-ethylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-ethylphenyl)-phenylmethanone
PubChem CID28968
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name(4-ethylphenyl)-phenylmethanone
SMILESCCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyIJUPTKULISHEID-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-phenylmethanone?
The IUPAC name of (4-ethylphenyl)-phenylmethanone (CID 28968) is (4-ethylphenyl)-phenylmethanone.
What is the SMILES notation for (4-ethylphenyl)-phenylmethanone?
The canonical SMILES for (4-ethylphenyl)-phenylmethanone is CCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl)-phenylmethanone?
The InChIKey is IJUPTKULISHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-phenylmethanone?
(4-ethylphenyl)-phenylmethanone has a molecular weight of 210.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-phenylmethanone is sourced from PubChem (CID 28968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).