1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene

C20H18OS — CID 175940510

IUPAC1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene
SMILESCc1cccc(C)c1Sc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H18OS/c1-15-9-8-10-16(2)20(15)22-19-14-7-6-13-18(19)21-17-11-4-3-5-12-17/h3-14H,1-2H3
InChIKeyAZQCHNBWBOLXQL-UHFFFAOYSA-N
MW306.43 g/mol
LogP6.25
Rot. Bonds4

About 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene

1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene (PubChem CID 175940510) has the molecular formula C20H18OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene
PubChem CID175940510
Molecular FormulaC20H18OS
Molecular Weight306.43 g/mol
Exact Mass306.11
IUPAC Name1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene
SMILESCc1cccc(C)c1Sc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H18OS/c1-15-9-8-10-16(2)20(15)22-19-14-7-6-13-18(19)21-17-11-4-3-5-12-17/h3-14H,1-2H3
InChIKeyAZQCHNBWBOLXQL-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-2-(2-phenoxyphenyl)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-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene
CID 175940504
ethane;1-methyl-2-phenoxybenzene
CID 90950955
N,N,2-trimethyl-6-phenoxyaniline
CID 91549486
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene
CID 20560412
2-(2-but-3-enoxyphenyl)sulfanyl-1,3-dimethylbenzene
CID 132520291
1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene
CID 175940509
3-methyl-7-phenoxy-1-benzothiophene
CID 23543487
ethane;1-methoxy-3-methyl-2-phenoxybenzene
CID 155714526
4,5-dimethyl-1-phenoxynaphthalene
CID 54090938
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene?
The IUPAC name of 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene (CID 175940510) is 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene is Cc1cccc(C)c1Sc1ccccc1Oc1ccccc1.
What is the InChIKey of 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene?
The InChIKey is AZQCHNBWBOLXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS/c1-15-9-8-10-16(2)20(15)22-19-14-7-6-13-18(19)21-17-11-4-3-5-12-17/h3-14H,1-2H3.
What are the key properties of 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene?
1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene has a molecular weight of 306.43 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 175940510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).