2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol

C14H12BrClOS — CID 11843613

IUPAC2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
SMILESOC(CSc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClOS/c15-11-3-7-13(8-4-11)18-9-14(17)10-1-5-12(16)6-2-10/h1-8,14,17H,9H2
InChIKeyPBHOJPCWCXLVHU-UHFFFAOYSA-N
MW343.67 g/mol
LogP4.93
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol

2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol (PubChem CID 11843613) has the molecular formula C14H12BrClOS and a molecular weight of 343.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
PubChem CID11843613
Molecular FormulaC14H12BrClOS
Molecular Weight343.67 g/mol
Exact Mass341.95
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
SMILESOC(CSc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClOS/c15-11-3-7-13(8-4-11)18-9-14(17)10-1-5-12(16)6-2-10/h1-8,14,17H,9H2
InChIKeyPBHOJPCWCXLVHU-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.67
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413
2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
CID 110885157
2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
CID 66056664
[4-[2-(4-bromophenyl)sulfanyl-1-hydroxyethyl]phenyl] acetate
CID 11844709
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 60723599
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
CID 66056077
(2S,4S)-4-[4-(4-chlorophenyl)phenyl]-4-hydroxy-2-[(4-hydroxyphenyl)sulfanylmethyl]butanoic acid
CID 139885880
4-[4-(4-chlorophenyl)phenyl]-4-hydroxy-2-[(4-hydroxyphenyl)sulfanylmethyl]butanoic acid
CID 21219594
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
CID 79596174
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylethanol
CID 114644295

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol (CID 11843613) is 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol is OC(CSc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol?
The InChIKey is PBHOJPCWCXLVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClOS/c15-11-3-7-13(8-4-11)18-9-14(17)10-1-5-12(16)6-2-10/h1-8,14,17H,9H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol?
2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol has a molecular weight of 343.67 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 11843613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).