2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene

C15H15BrO2S — CID 60673191

IUPAC2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
SMILESCOc1ccc(SCc2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C15H15BrO2S/c1-17-12-4-6-13(7-5-12)19-10-11-3-8-15(18-2)14(16)9-11/h3-9H,10H2,1-2H3
InChIKeySPIXSYYWKWZBMC-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.76
Rot. Bonds5

About 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene

2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene (PubChem CID 60673191) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
PubChem CID60673191
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
SMILESCOc1ccc(SCc2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C15H15BrO2S/c1-17-12-4-6-13(7-5-12)19-10-11-3-8-15(18-2)14(16)9-11/h3-9H,10H2,1-2H3
InChIKeySPIXSYYWKWZBMC-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-methoxy-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 60672064
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]phenol
CID 54970698
2-bromo-4-[(3-bromophenyl)sulfanylmethyl]-1-methoxybenzene
CID 63458320
5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 55431609
2-bromo-4-(tert-butylsulfanylmethyl)-1-methoxybenzene
CID 60675101
2-bromo-1-methoxy-4-(2-methylpropylsulfanylmethyl)benzene
CID 55027647
2-bromo-1-methoxy-4-(3-methylbutan-2-ylsulfanylmethyl)benzene
CID 107754272
1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 130378500
1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-one
CID 66057058
5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-methyltetrazole
CID 8594550
2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 843833
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene?
The IUPAC name of 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene (CID 60673191) is 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene?
The canonical SMILES for 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene is COc1ccc(SCc2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene?
The InChIKey is SPIXSYYWKWZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-17-12-4-6-13(7-5-12)19-10-11-3-8-15(18-2)14(16)9-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene?
2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene has a molecular weight of 339.25 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 60673191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).