1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol

C15H14BrClOS — CID 107915663

IUPAC1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
SMILESCc1ccc(C(O)CSc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C15H14BrClOS/c1-10-5-6-11(7-14(10)16)15(18)9-19-13-4-2-3-12(17)8-13/h2-8,15,18H,9H2,1H3
InChIKeyYLHPPIMXQIVIHT-UHFFFAOYSA-N
MW357.70 g/mol
LogP5.24
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol

1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol (PubChem CID 107915663) has the molecular formula C15H14BrClOS and a molecular weight of 357.70 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
PubChem CID107915663
Molecular FormulaC15H14BrClOS
Molecular Weight357.70 g/mol
Exact Mass355.96
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
SMILESCc1ccc(C(O)CSc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C15H14BrClOS/c1-10-5-6-11(7-14(10)16)15(18)9-19-13-4-2-3-12(17)8-13/h2-8,15,18H,9H2,1H3
InChIKeyYLHPPIMXQIVIHT-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.70
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302
1-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 66148550
2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 66148345
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 107128535
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
(1S)-1-(3-bromo-4-methylphenyl)-2-(chloroamino)ethanol
CID 58666985

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol (CID 107915663) is 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol is Cc1ccc(C(O)CSc2cccc(Cl)c2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol?
The InChIKey is YLHPPIMXQIVIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClOS/c1-10-5-6-11(7-14(10)16)15(18)9-19-13-4-2-3-12(17)8-13/h2-8,15,18H,9H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol?
1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol has a molecular weight of 357.70 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol is sourced from PubChem (CID 107915663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).