4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol

C26H24O4S2 — CID 161479517

IUPAC4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
SMILESCc1cc(Sc2ccc(O)c(C)c2)ccc1O.Oc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14O2S.C12H10O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h3-8,15-16H,1-2H3;1-8,13-14H
InChIKeyWEDZQOWEYWPGIO-UHFFFAOYSA-N
MW464.61 g/mol
LogP7.11
Rot. Bonds4

About 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol

4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol (PubChem CID 161479517) has the molecular formula C26H24O4S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
PubChem CID161479517
Molecular FormulaC26H24O4S2
Molecular Weight464.61 g/mol
Exact Mass464.11
IUPAC Name4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
SMILESCc1cc(Sc2ccc(O)c(C)c2)ccc1O.Oc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14O2S.C12H10O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h3-8,15-16H,1-2H3;1-8,13-14H
InChIKeyWEDZQOWEYWPGIO-UHFFFAOYSA-N
XLogP7.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 57.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
CID 172565208
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 54033630
2-methyl-4-(4-nitrophenyl)sulfanylphenol
CID 91879495
4-[(4-hydroxy-3-methylphenyl)disulfanyl]-3-methylphenol
CID 172565287
4-[3,5-bis[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]sulfanyl-2-methylphenol
CID 67549873
2-methyl-4-(trioxidanylsulfanyl)phenol
CID 59344040
2-fluoro-4-(4-methylphenyl)sulfanylphenol
CID 23543387
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
4-(2,2-dimethylpropylsulfanyl)-2-methylphenol
CID 170743986
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol (CID 161479517) is 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol is Cc1cc(Sc2ccc(O)c(C)c2)ccc1O.Oc1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol?
The InChIKey is WEDZQOWEYWPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S.C12H10O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h3-8,15-16H,1-2H3;1-8,13-14H.
What are the key properties of 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol?
4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol has a molecular weight of 464.61 g/mol, XLogP of 7.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 161479517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).