1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene

C21H20O3S — CID 175940504

IUPAC1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene
SMILESCOc1cccc(Oc2cccc(OC)c2Sc2ccccc2C)c1
InChIInChI=1S/C21H20O3S/c1-15-8-4-5-13-20(15)25-21-18(23-3)11-7-12-19(21)24-17-10-6-9-16(14-17)22-2/h4-14H,1-3H3
InChIKeyBRWZXEGJDQZGJI-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.96
Rot. Bonds6

About 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene

1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene (PubChem CID 175940504) has the molecular formula C21H20O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene
PubChem CID175940504
Molecular FormulaC21H20O3S
Molecular Weight352.46 g/mol
Exact Mass352.11
IUPAC Name1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene
SMILESCOc1cccc(Oc2cccc(OC)c2Sc2ccccc2C)c1
InChIInChI=1S/C21H20O3S/c1-15-8-4-5-13-20(15)25-21-18(23-3)11-7-12-19(21)24-17-10-6-9-16(14-17)22-2/h4-14H,1-3H3
InChIKeyBRWZXEGJDQZGJI-UHFFFAOYSA-N
XLogP5.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene 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-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene
CID 175940510
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
2-(3-methoxyphenoxy)-N-methylaniline
CID 167220736
[2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium
CID 132571487
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
2-(2,4-dimethylphenyl)sulfanyl-1,3,5-trimethoxybenzene
CID 135030855
1-ethynyl-2-(3-methoxyphenoxy)benzene
CID 173156561
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene?
The IUPAC name of 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene (CID 175940504) is 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene?
The canonical SMILES for 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene is COc1cccc(Oc2cccc(OC)c2Sc2ccccc2C)c1.
What is the InChIKey of 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene?
The InChIKey is BRWZXEGJDQZGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3S/c1-15-8-4-5-13-20(15)25-21-18(23-3)11-7-12-19(21)24-17-10-6-9-16(14-17)22-2/h4-14H,1-3H3.
What are the key properties of 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene?
1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene has a molecular weight of 352.46 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 175940504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).