1-[4-(1-methoxyethyl)phenyl]ethanone

C11H14O2 — CID 12735290

IUPAC1-[4-(1-methoxyethyl)phenyl]ethanone
SMILESCOC(C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C11H14O2/c1-8(12)10-4-6-11(7-5-10)9(2)13-3/h4-7,9H,1-3H3
InChIKeyNPWBHZPWICFNAV-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.60
Rot. Bonds3

About 1-[4-(1-methoxyethyl)phenyl]ethanone

1-[4-(1-methoxyethyl)phenyl]ethanone (PubChem CID 12735290) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[4-(1-methoxyethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methoxyethyl)phenyl]ethanone
PubChem CID12735290
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-[4-(1-methoxyethyl)phenyl]ethanone
SMILESCOC(C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C11H14O2/c1-8(12)10-4-6-11(7-5-10)9(2)13-3/h4-7,9H,1-3H3
InChIKeyNPWBHZPWICFNAV-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-methoxyethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
CID 124500314
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
4-[(1R)-1-methoxyethyl]benzenethiol
CID 124500513
1-[4-(1-methoxy-2,2-dimethylpropyl)phenyl]ethanone
CID 102543531
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
1-[4-[(1S)-1-methoxybutyl]phenyl]ethanone
CID 124500308
1-(4-acetylphenyl)ethanone;methane
CID 159515104

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxyethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-methoxyethyl)phenyl]ethanone (CID 12735290) is 1-[4-(1-methoxyethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-methoxyethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-methoxyethyl)phenyl]ethanone is COC(C)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(1-methoxyethyl)phenyl]ethanone?
The InChIKey is NPWBHZPWICFNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(12)10-4-6-11(7-5-10)9(2)13-3/h4-7,9H,1-3H3.
What are the key properties of 1-[4-(1-methoxyethyl)phenyl]ethanone?
1-[4-(1-methoxyethyl)phenyl]ethanone has a molecular weight of 178.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxyethyl)phenyl]ethanone is sourced from PubChem (CID 12735290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).