2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone

C22H20O2 — CID 10543442

IUPAC2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H20O2/c1-17-10-12-18(13-11-17)14-22(23)20-8-5-9-21(15-20)24-16-19-6-3-2-4-7-19/h2-13,15H,14,16H2,1H3
InChIKeyGIJBMNCGZYFUFY-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.00
Rot. Bonds6

About 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone

2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone (PubChem CID 10543442) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
PubChem CID10543442
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H20O2/c1-17-10-12-18(13-11-17)14-22(23)20-8-5-9-21(15-20)24-16-19-6-3-2-4-7-19/h2-13,15H,14,16H2,1H3
InChIKeyGIJBMNCGZYFUFY-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)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-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
CID 159572663
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 83951355
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone
CID 173192077
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone (CID 10543442) is 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone is Cc1ccc(CC(=O)c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone?
The InChIKey is GIJBMNCGZYFUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-17-10-12-18(13-11-17)14-22(23)20-8-5-9-21(15-20)24-16-19-6-3-2-4-7-19/h2-13,15H,14,16H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone?
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 10543442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).