2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene

C21H20O4S — CID 141431918

IUPAC2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene
SMILESCOc1c(OCc2ccccc2)cccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H20O4S/c1-16-11-13-18(14-12-16)26(22,23)20-10-6-9-19(21(20)24-2)25-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3
InChIKeyLNOKLBLTBQOTBV-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.42
Rot. Bonds6

About 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene

2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene (PubChem CID 141431918) has the molecular formula C21H20O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene.

Molecular Properties

Compound Name2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene
PubChem CID141431918
Molecular FormulaC21H20O4S
Molecular Weight368.45 g/mol
Exact Mass368.11
IUPAC Name2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene
SMILESCOc1c(OCc2ccccc2)cccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H20O4S/c1-16-11-13-18(14-12-16)26(22,23)20-10-6-9-19(21(20)24-2)25-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3
InChIKeyLNOKLBLTBQOTBV-UHFFFAOYSA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene 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-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene
CID 58133164
1-phenylmethoxy-2-[4-[[4-[[4-(2-phenylmethoxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylbenzene
CID 139826912
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
benzenesulfonamide;2,3-dimethoxybenzenesulfonamide;4-methylbenzenesulfonamide;phenylmethanesulfonamide
CID 70247303
1,2,3-tris-(4-methylphenyl)sulfonylbenzene
CID 18699518
3-(benzenesulfonyl)-2-methoxyaniline
CID 59675219
2-(4-phenylmethoxyphenyl)sulfonylphenol
CID 14178379
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
N-(4-amino-3-methoxy-2-phenylmethoxyphenyl)-4-methylbenzenesulfonamide
CID 102147768
1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
CID 68510398
2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
CID 57143935
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene?
The IUPAC name of 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene (CID 141431918) is 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene.
What is the SMILES notation for 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene?
The canonical SMILES for 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene is COc1c(OCc2ccccc2)cccc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene?
The InChIKey is LNOKLBLTBQOTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4S/c1-16-11-13-18(14-12-16)26(22,23)20-10-6-9-19(21(20)24-2)25-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene?
2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene has a molecular weight of 368.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene is sourced from PubChem (CID 141431918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).