1-(4-ethylphenyl)ethanone

C10H12O — CID 13642

IUPAC1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
InChIKeyNODGRWCMFMEGJH-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.45
Rot. Bonds2

About 1-(4-ethylphenyl)ethanone

1-(4-ethylphenyl)ethanone (PubChem CID 13642) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)ethanone
PubChem CID13642
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
InChIKeyNODGRWCMFMEGJH-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)ethanone?
The IUPAC name of 1-(4-ethylphenyl)ethanone (CID 13642) is 1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)ethanone is CCc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)ethanone?
The InChIKey is NODGRWCMFMEGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)ethanone?
1-(4-ethylphenyl)ethanone has a molecular weight of 148.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 13642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).