1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide

C23H22O4S — CID 159572663

IUPAC1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
SMILESCOc1ccc(COc2cccc(C(=O)Cc3ccc(C)cc3)c2)cc1.O=S
InChIInChI=1S/C23H22O3.OS/c1-17-6-8-18(9-7-17)14-23(24)20-4-3-5-22(15-20)26-16-19-10-12-21(25-2)13-11-19;1-2/h3-13,15H,14,16H2,1-2H3;
InChIKeyMIAAWZYHUSVNCI-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.67
Rot. Bonds7

About 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide

1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide (PubChem CID 159572663) has the molecular formula C23H22O4S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
PubChem CID159572663
Molecular FormulaC23H22O4S
Molecular Weight394.49 g/mol
Exact Mass394.12
IUPAC Name1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
SMILESCOc1ccc(COc2cccc(C(=O)Cc3ccc(C)cc3)c2)cc1.O=S
InChIInChI=1S/C23H22O3.OS/c1-17-6-8-18(9-7-17)14-23(24)20-4-3-5-22(15-20)26-16-19-10-12-21(25-2)13-11-19;1-2/h3-13,15H,14,16H2,1-2H3;
InChIKeyMIAAWZYHUSVNCI-UHFFFAOYSA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide 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

2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58027389
2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 83951355
4-[3-[(4-methoxyphenyl)methoxy]phenyl]-4-oxobut-2-enoic acid
CID 54212138
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 57070941
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide?
The IUPAC name of 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide (CID 159572663) is 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide is COc1ccc(COc2cccc(C(=O)Cc3ccc(C)cc3)c2)cc1.O=S.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide?
The InChIKey is MIAAWZYHUSVNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3.OS/c1-17-6-8-18(9-7-17)14-23(24)20-4-3-5-22(15-20)26-16-19-10-12-21(25-2)13-11-19;1-2/h3-13,15H,14,16H2,1-2H3;.
What are the key properties of 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide?
1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide has a molecular weight of 394.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide is sourced from PubChem (CID 159572663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).