1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene

C14H12BrClOS — CID 65326046

IUPAC1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(CSc2ccccc2Cl)c1
InChIInChI=1S/C14H12BrClOS/c1-17-11-6-7-12(15)10(8-11)9-18-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3
InChIKeyXBZUCQXEAHEACO-UHFFFAOYSA-N
MW343.67 g/mol
LogP5.40
Rot. Bonds4

About 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene

1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene (PubChem CID 65326046) has the molecular formula C14H12BrClOS and a molecular weight of 343.67 g/mol. Its IUPAC name is 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene
PubChem CID65326046
Molecular FormulaC14H12BrClOS
Molecular Weight343.67 g/mol
Exact Mass341.95
IUPAC Name1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(CSc2ccccc2Cl)c1
InChIInChI=1S/C14H12BrClOS/c1-17-11-6-7-12(15)10(8-11)9-18-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3
InChIKeyXBZUCQXEAHEACO-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79143942
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CID 65325800
1-bromo-4-methoxy-2-[(3-methylphenyl)sulfanylmethyl]benzene
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2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
1-bromo-4-methoxy-2-(3-methylbutan-2-ylsulfanylmethyl)benzene
CID 107754262
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 65326097
1-bromo-2-(3-chloro-3-phenylpropyl)-4-methoxybenzene
CID 65326854
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66145597
[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol
CID 66346606
2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol
CID 62000126
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene?
The IUPAC name of 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene (CID 65326046) is 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene is COc1ccc(Br)c(CSc2ccccc2Cl)c1.
What is the InChIKey of 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene?
The InChIKey is XBZUCQXEAHEACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClOS/c1-17-11-6-7-12(15)10(8-11)9-18-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene?
1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene has a molecular weight of 343.67 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene is sourced from PubChem (CID 65326046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).