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

C15H15BrO2S — CID 130378500

IUPAC1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
SMILESCOc1ccc(CSc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C15H15BrO2S/c1-17-12-5-3-11(4-6-12)10-19-15-9-13(18-2)7-8-14(15)16/h3-9H,10H2,1-2H3
InChIKeyGNOZJWQHMCNVQT-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.76
Rot. Bonds5

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

1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene (PubChem CID 130378500) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
PubChem CID130378500
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
SMILESCOc1ccc(CSc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C15H15BrO2S/c1-17-12-5-3-11(4-6-12)10-19-15-9-13(18-2)7-8-14(15)16/h3-9H,10H2,1-2H3
InChIKeyGNOZJWQHMCNVQT-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

4-[[2-bromo-5-(trifluoromethyl)phenyl]sulfanylmethyl]-1-[(4-methoxyphenyl)methyl]pyridin-1-ium
CID 153354358
1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 144942849
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 60673191
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
1-bromo-2-[(2,5-difluorophenyl)sulfanylmethyl]-4-methoxybenzene
CID 65325800
3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
CID 168898782
CID 175096561
CID 175096561

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The IUPAC name of 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene (CID 130378500) is 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene is COc1ccc(CSc2cc(OC)ccc2Br)cc1.
What is the InChIKey of 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The InChIKey is GNOZJWQHMCNVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-17-12-5-3-11(4-6-12)10-19-15-9-13(18-2)7-8-14(15)16/h3-9H,10H2,1-2H3.
What are the key properties of 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]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 1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene is sourced from PubChem (CID 130378500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).