bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol

C23H24OS — CID 11631636

IUPACbis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol
SMILESCc1cccc(C(O)(c2ccccc2S)c2cccc(C)c2C)c1C
InChIInChI=1S/C23H24OS/c1-15-9-7-12-19(17(15)3)23(24,21-11-5-6-14-22(21)25)20-13-8-10-16(2)18(20)4/h5-14,24-25H,1-4H3
InChIKeyAJMBECQLHQMYBO-UHFFFAOYSA-N
MW348.51 g/mol
LogP5.49
Rot. Bonds3

About bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol

bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol (PubChem CID 11631636) has the molecular formula C23H24OS and a molecular weight of 348.51 g/mol. Its IUPAC name is bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol.

Molecular Properties

Compound Namebis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol
PubChem CID11631636
Molecular FormulaC23H24OS
Molecular Weight348.51 g/mol
Exact Mass348.15
IUPAC Namebis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol
SMILESCc1cccc(C(O)(c2ccccc2S)c2cccc(C)c2C)c1C
InChIInChI=1S/C23H24OS/c1-15-9-7-12-19(17(15)3)23(24,21-11-5-6-14-22(21)25)20-13-8-10-16(2)18(20)4/h5-14,24-25H,1-4H3
InChIKeyAJMBECQLHQMYBO-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.51
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol 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

bis(4-methylphenyl)-(2-sulfanylphenyl)methanol
CID 139640876
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
3-(2,3-dimethylphenyl)pentan-3-ol
CID 62549371
aluminum 2,3-dimethylbenzenethiol
CID 19021809
2-(2,3-dimethylphenyl)-2-hydroxypropanal
CID 66040528
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
2-[1-[4-[1,1-bis(2-sulfanylphenyl)ethyl]phenyl]-1-(2-methylphenyl)ethyl]benzenethiol
CID 155358414
[5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol
CID 140981334
(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
CID 94483384
2-methyl-3-(2-methylphenyl)sulfanylbenzenethiol
CID 54090718
2-methylbenzenethiol;pentahydrofluoride
CID 173133348
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol?
The IUPAC name of bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol (CID 11631636) is bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol.
What is the SMILES notation for bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol?
The canonical SMILES for bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol is Cc1cccc(C(O)(c2ccccc2S)c2cccc(C)c2C)c1C.
What is the InChIKey of bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol?
The InChIKey is AJMBECQLHQMYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24OS/c1-15-9-7-12-19(17(15)3)23(24,21-11-5-6-14-22(21)25)20-13-8-10-16(2)18(20)4/h5-14,24-25H,1-4H3.
What are the key properties of bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol?
bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol has a molecular weight of 348.51 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol is sourced from PubChem (CID 11631636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).