3-bromo-2-(4-methoxyphenyl)sulfanylphenol

C13H11BrO2S — CID 151266712

IUPAC3-bromo-2-(4-methoxyphenyl)sulfanylphenol
SMILESCOc1ccc(Sc2c(O)cccc2Br)cc1
InChIInChI=1S/C13H11BrO2S/c1-16-9-5-7-10(8-6-9)17-13-11(14)3-2-4-12(13)15/h2-8,15H,1H3
InChIKeyNVMSVHHIPANXSZ-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.31
Rot. Bonds3

About 3-bromo-2-(4-methoxyphenyl)sulfanylphenol

3-bromo-2-(4-methoxyphenyl)sulfanylphenol (PubChem CID 151266712) has the molecular formula C13H11BrO2S and a molecular weight of 311.20 g/mol. Its IUPAC name is 3-bromo-2-(4-methoxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name3-bromo-2-(4-methoxyphenyl)sulfanylphenol
PubChem CID151266712
Molecular FormulaC13H11BrO2S
Molecular Weight311.20 g/mol
Exact Mass309.97
IUPAC Name3-bromo-2-(4-methoxyphenyl)sulfanylphenol
SMILESCOc1ccc(Sc2c(O)cccc2Br)cc1
InChIInChI=1S/C13H11BrO2S/c1-16-9-5-7-10(8-6-9)17-13-11(14)3-2-4-12(13)15/h2-8,15H,1H3
InChIKeyNVMSVHHIPANXSZ-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-3-methylphenol
CID 102267344
3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
CID 112580007
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
3,5-difluoro-4-(4-methoxyphenyl)sulfanylaniline
CID 54902347
3,5-dimethoxy-2-phenylsulfanylphenol
CID 11471007
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
CID 91879746
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-(4-methoxyphenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
CID 139234715
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
2-bromo-4-(4-methoxyphenyl)phenol
CID 11492848

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-methoxyphenyl)sulfanylphenol?
The IUPAC name of 3-bromo-2-(4-methoxyphenyl)sulfanylphenol (CID 151266712) is 3-bromo-2-(4-methoxyphenyl)sulfanylphenol.
What is the SMILES notation for 3-bromo-2-(4-methoxyphenyl)sulfanylphenol?
The canonical SMILES for 3-bromo-2-(4-methoxyphenyl)sulfanylphenol is COc1ccc(Sc2c(O)cccc2Br)cc1.
What is the InChIKey of 3-bromo-2-(4-methoxyphenyl)sulfanylphenol?
The InChIKey is NVMSVHHIPANXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2S/c1-16-9-5-7-10(8-6-9)17-13-11(14)3-2-4-12(13)15/h2-8,15H,1H3.
What are the key properties of 3-bromo-2-(4-methoxyphenyl)sulfanylphenol?
3-bromo-2-(4-methoxyphenyl)sulfanylphenol has a molecular weight of 311.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-methoxyphenyl)sulfanylphenol is sourced from PubChem (CID 151266712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).