3,5-dimethoxy-2-phenylsulfanylphenol

C14H14O3S — CID 11471007

IUPAC3,5-dimethoxy-2-phenylsulfanylphenol
SMILESCOc1cc(O)c(Sc2ccccc2)c(OC)c1
InChIInChI=1S/C14H14O3S/c1-16-10-8-12(15)14(13(9-10)17-2)18-11-6-4-3-5-7-11/h3-9,15H,1-2H3
InChIKeyCGLUBTYJJIMEKF-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.56
Rot. Bonds4

About 3,5-dimethoxy-2-phenylsulfanylphenol

3,5-dimethoxy-2-phenylsulfanylphenol (PubChem CID 11471007) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3,5-dimethoxy-2-phenylsulfanylphenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-phenylsulfanylphenol
PubChem CID11471007
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name3,5-dimethoxy-2-phenylsulfanylphenol
SMILESCOc1cc(O)c(Sc2ccccc2)c(OC)c1
InChIInChI=1S/C14H14O3S/c1-16-10-8-12(15)14(13(9-10)17-2)18-11-6-4-3-5-7-11/h3-9,15H,1-2H3
InChIKeyCGLUBTYJJIMEKF-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethoxy-2-phenylsulfanylphenol 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

1,3,5-trimethoxy-2,4-bis(phenylsulfanyl)benzene
CID 138976814
2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol
CID 102103900
3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol
CID 170909713
1,3-dimethoxy-5-phenylsulfanylbenzene
CID 122365183
2-phenylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191547
4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
CID 14993626
methyl 3-hydroxy-5-methyl-4-phenylsulfanylbenzoate
CID 134930296
3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 136785678
methoxymethane;phenylsulfanylbenzene
CID 175087336
3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
CID 142924740
1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
CID 65141920
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-phenylsulfanylphenol?
The IUPAC name of 3,5-dimethoxy-2-phenylsulfanylphenol (CID 11471007) is 3,5-dimethoxy-2-phenylsulfanylphenol.
What is the SMILES notation for 3,5-dimethoxy-2-phenylsulfanylphenol?
The canonical SMILES for 3,5-dimethoxy-2-phenylsulfanylphenol is COc1cc(O)c(Sc2ccccc2)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-phenylsulfanylphenol?
The InChIKey is CGLUBTYJJIMEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-16-10-8-12(15)14(13(9-10)17-2)18-11-6-4-3-5-7-11/h3-9,15H,1-2H3.
What are the key properties of 3,5-dimethoxy-2-phenylsulfanylphenol?
3,5-dimethoxy-2-phenylsulfanylphenol has a molecular weight of 262.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-phenylsulfanylphenol is sourced from PubChem (CID 11471007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).