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

C14H12BrClOS — CID 113471420

IUPAC4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene
SMILESCOc1ccc(SCc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H12BrClOS/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(15)8-14(10)16/h2-8H,9H2,1H3
InChIKeyUGWYLQUYJCGREX-UHFFFAOYSA-N
MW343.67 g/mol
LogP5.40
Rot. Bonds4

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

4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene (PubChem CID 113471420) has the molecular formula C14H12BrClOS and a molecular weight of 343.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene
PubChem CID113471420
Molecular FormulaC14H12BrClOS
Molecular Weight343.67 g/mol
Exact Mass341.95
IUPAC Name4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene
SMILESCOc1ccc(SCc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H12BrClOS/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(15)8-14(10)16/h2-8H,9H2,1H3
InChIKeyUGWYLQUYJCGREX-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

4-bromo-2-chloro-1-[(3-methoxyphenyl)sulfanylmethyl]benzene
CID 113471418
[3-chloro-4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 102669110
4-bromo-2-chloro-1-(2-methoxyethylsulfanylmethyl)benzene
CID 115598144
2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine
CID 105037979
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
4-bromo-2-[(4-bromo-2-chlorophenyl)methylsulfanyl]aniline
CID 113471038
2-[(4-bromo-2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 115598150
[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
CID 63812767
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 60673191
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(4-methoxyphenyl) 4-bromo-2-chlorobenzenesulfonate
CID 30325304

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene (CID 113471420) is 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene is COc1ccc(SCc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene?
The InChIKey is UGWYLQUYJCGREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClOS/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(15)8-14(10)16/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene?
4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene 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 4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 113471420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).