1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone

C18H18O2 — CID 13100

IUPAC1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CCc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H18O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,3-4H2,1-2H3
InChIKeyZSLCVLSXAOHWBQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.88
Rot. Bonds5

About 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone

1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone (PubChem CID 13100) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone
PubChem CID13100
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CCc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H18O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,3-4H2,1-2H3
InChIKeyZSLCVLSXAOHWBQ-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone (CID 13100) is 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone is CC(=O)c1ccc(CCc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone?
The InChIKey is ZSLCVLSXAOHWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone?
1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone is sourced from PubChem (CID 13100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).