4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol

C14H14O2S — CID 172565208

IUPAC4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
SMILESCc1cc(Sc2ccc(O)cc2C)ccc1O
InChIInChI=1S/C14H14O2S/c1-9-8-12(4-5-13(9)16)17-14-6-3-11(15)7-10(14)2/h3-8,15-16H,1-2H3
InChIKeyCMBVKHGXZGUJCB-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.87
Rot. Bonds2

About 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol

4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol (PubChem CID 172565208) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
PubChem CID172565208
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
SMILESCc1cc(Sc2ccc(O)cc2C)ccc1O
InChIInChI=1S/C14H14O2S/c1-9-8-12(4-5-13(9)16)17-14-6-3-11(15)7-10(14)2/h3-8,15-16H,1-2H3
InChIKeyCMBVKHGXZGUJCB-UHFFFAOYSA-N
XLogP3.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol
CID 172565287
4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
CID 161479517
4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile
CID 91879591
4-(4-bromo-2-methylphenyl)sulfanylphenol
CID 91877655
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 54033630
2-chlorobenzene-1,4-diol;2-methylbenzene-1,4-diol
CID 157388501
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108
2-methyl-4-(4-nitrophenyl)sulfanylphenol
CID 91879495
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
CID 43436438
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 71293385
N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide
CID 20502809

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol (CID 172565208) is 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol is Cc1cc(Sc2ccc(O)cc2C)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol?
The InChIKey is CMBVKHGXZGUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-8-12(4-5-13(9)16)17-14-6-3-11(15)7-10(14)2/h3-8,15-16H,1-2H3.
What are the key properties of 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol?
4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol has a molecular weight of 246.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol is sourced from PubChem (CID 172565208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).