1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone

C16H16O2 — CID 20716241

IUPAC1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(COc2ccccc2C)cc1
InChIInChI=1S/C16H16O2/c1-12-5-3-4-6-16(12)18-11-14-7-9-15(10-8-14)13(2)17/h3-10H,11H2,1-2H3
InChIKeyJZCMTOGJOWAKSV-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone

1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone (PubChem CID 20716241) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
PubChem CID20716241
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(COc2ccccc2C)cc1
InChIInChI=1S/C16H16O2/c1-12-5-3-4-6-16(12)18-11-14-7-9-15(10-8-14)13(2)17/h3-10H,11H2,1-2H3
InChIKeyJZCMTOGJOWAKSV-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(2-methylphenoxy)methyl]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

1-[4-(naphthalen-1-yloxymethyl)phenyl]ethanone
CID 134094222
methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate
CID 139669245
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
4-[(4-acetyl-2-methylphenoxy)methyl]benzonitrile
CID 115610418
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone (CID 20716241) is 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone is CC(=O)c1ccc(COc2ccccc2C)cc1.
What is the InChIKey of 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone?
The InChIKey is JZCMTOGJOWAKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-5-3-4-6-16(12)18-11-14-7-9-15(10-8-14)13(2)17/h3-10H,11H2,1-2H3.
What are the key properties of 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone?
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone has a molecular weight of 240.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone is sourced from PubChem (CID 20716241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).