2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol

C15H14BrClO2S — CID 66056664

IUPAC2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)CSc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClO2S/c1-19-15-7-4-11(17)8-13(15)14(18)9-20-12-5-2-10(16)3-6-12/h2-8,14,18H,9H2,1H3
InChIKeyPMCZNZRGWFVCEO-UHFFFAOYSA-N
MW373.70 g/mol
LogP4.94
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol

2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 66056664) has the molecular formula C15H14BrClO2S and a molecular weight of 373.70 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID66056664
Molecular FormulaC15H14BrClO2S
Molecular Weight373.70 g/mol
Exact Mass371.96
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)CSc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClO2S/c1-19-15-7-4-11(17)8-13(15)14(18)9-20-12-5-2-10(16)3-6-12/h2-8,14,18H,9H2,1H3
InChIKeyPMCZNZRGWFVCEO-UHFFFAOYSA-N
XLogP4.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
CID 11843613
(1S)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
CID 97293631
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
CID 66056077
1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547438
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259
[(5-chloro-2-methoxyphenyl)-(4-ethylsulfanylphenyl)methyl]hydrazine
CID 106850431
2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66056466

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol (CID 66056664) is 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol is COc1ccc(Cl)cc1C(O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is PMCZNZRGWFVCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2S/c1-19-15-7-4-11(17)8-13(15)14(18)9-20-12-5-2-10(16)3-6-12/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol?
2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol has a molecular weight of 373.70 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 66056664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).