4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol

C12H13NO2S — CID 102203770

IUPAC4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol
SMILESCOc1ccc(O)c(Sc2cccn2C)c1
InChIInChI=1S/C12H13NO2S/c1-13-7-3-4-12(13)16-11-8-9(15-2)5-6-10(11)14/h3-8,14H,1-2H3
InChIKeyIONNCHNLFVLMQB-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.89
Rot. Bonds3

About 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol

4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol (PubChem CID 102203770) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol.

Molecular Properties

Compound Name4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol
PubChem CID102203770
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol
SMILESCOc1ccc(O)c(Sc2cccn2C)c1
InChIInChI=1S/C12H13NO2S/c1-13-7-3-4-12(13)16-11-8-9(15-2)5-6-10(11)14/h3-8,14H,1-2H3
InChIKeyIONNCHNLFVLMQB-UHFFFAOYSA-N
XLogP2.89
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143396910
2-(2-hydroxyethylsulfanyl)-4-methoxyphenol
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(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293057
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
(R)-(3-methoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293101
4-methoxy-2-(1-methylimidazol-2-yl)phenol
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1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
CID 91879746
5-methoxy-1-methylindole
CID 819864
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol?
The IUPAC name of 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol (CID 102203770) is 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol.
What is the SMILES notation for 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol?
The canonical SMILES for 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol is COc1ccc(O)c(Sc2cccn2C)c1.
What is the InChIKey of 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol?
The InChIKey is IONNCHNLFVLMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-13-7-3-4-12(13)16-11-8-9(15-2)5-6-10(11)14/h3-8,14H,1-2H3.
What are the key properties of 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol?
4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol has a molecular weight of 235.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol is sourced from PubChem (CID 102203770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).