4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol

C14H14O2S2 — CID 172565287

IUPAC4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol
SMILESCc1cc(SSc2ccc(O)cc2C)ccc1O
InChIInChI=1S/C14H14O2S2/c1-9-8-12(4-5-13(9)16)17-18-14-6-3-11(15)7-10(14)2/h3-8,15-16H,1-2H3
InChIKeyMHSNVKXFUBUIJI-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.51
Rot. Bonds3

About 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol

4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol (PubChem CID 172565287) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol
PubChem CID172565287
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol
SMILESCc1cc(SSc2ccc(O)cc2C)ccc1O
InChIInChI=1S/C14H14O2S2/c1-9-8-12(4-5-13(9)16)17-18-14-6-3-11(15)7-10(14)2/h3-8,15-16H,1-2H3
InChIKeyMHSNVKXFUBUIJI-UHFFFAOYSA-N
XLogP4.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
CID 172565208
4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
CID 161479517
2-chlorobenzene-1,4-diol;2-methylbenzene-1,4-diol
CID 157388501
azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol
CID 91509159
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108
4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile
CID 91879591
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
2-methyl-4-(trioxidanylsulfanyl)phenol
CID 59344040
4-(2,2-dimethylpropylsulfanyl)-2-methylphenol
CID 170743986
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
4-(4-bromo-2-methylphenyl)sulfanylphenol
CID 91877655

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol?
The IUPAC name of 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol (CID 172565287) is 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol?
The canonical SMILES for 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol is Cc1cc(SSc2ccc(O)cc2C)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol?
The InChIKey is MHSNVKXFUBUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c1-9-8-12(4-5-13(9)16)17-18-14-6-3-11(15)7-10(14)2/h3-8,15-16H,1-2H3.
What are the key properties of 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol?
4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol has a molecular weight of 278.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol is sourced from PubChem (CID 172565287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).