4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol

C15H16O2S — CID 54033630

IUPAC4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
SMILESCOc1ccc(Sc2ccc(O)c(C)c2)cc1C
InChIInChI=1S/C15H16O2S/c1-10-8-12(4-6-14(10)16)18-13-5-7-15(17-3)11(2)9-13/h4-9,16H,1-3H3
InChIKeyLHJFDMDDPDYPHC-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.17
Rot. Bonds3

About 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol

4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol (PubChem CID 54033630) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
PubChem CID54033630
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
SMILESCOc1ccc(Sc2ccc(O)c(C)c2)cc1C
InChIInChI=1S/C15H16O2S/c1-10-8-12(4-6-14(10)16)18-13-5-7-15(17-3)11(2)9-13/h4-9,16H,1-3H3
InChIKeyLHJFDMDDPDYPHC-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,5-bis[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]sulfanyl-2-methylphenol
CID 67549873
4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
CID 161479517
tert-butyl 2-[4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenoxy]acetate;4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 157294569
1-methoxy-2-methyl-4-(methyldisulfanyl)benzene
CID 58500296
2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol
CID 86291799
(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006
S-(4-methoxy-3-methylphenyl) methanethioate
CID 117033657
2-methyl-4-(4-nitrophenyl)sulfanylphenol
CID 91879495
4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
CID 172565208
4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
CID 170743959
ethyl (4-methoxy-3-methylphenyl)sulfanylformate
CID 117035892
2-methyl-4-(trioxidanylsulfanyl)phenol
CID 59344040

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol (CID 54033630) is 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol is COc1ccc(Sc2ccc(O)c(C)c2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol?
The InChIKey is LHJFDMDDPDYPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-10-8-12(4-6-14(10)16)18-13-5-7-15(17-3)11(2)9-13/h4-9,16H,1-3H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol?
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol has a molecular weight of 260.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol is sourced from PubChem (CID 54033630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).