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

C15H15BrOS — CID 66144447

IUPAC2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CSc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrOS/c1-11-6-8-12(9-7-11)14(17)10-18-15-5-3-2-4-13(15)16/h2-9,14,17H,10H2,1H3
InChIKeyBVSBPMDUPAPYCU-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.58
Rot. Bonds4

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

2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol (PubChem CID 66144447) has the molecular formula C15H15BrOS and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
PubChem CID66144447
Molecular FormulaC15H15BrOS
Molecular Weight323.26 g/mol
Exact Mass322.00
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CSc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrOS/c1-11-6-8-12(9-7-11)14(17)10-18-15-5-3-2-4-13(15)16/h2-9,14,17H,10H2,1H3
InChIKeyBVSBPMDUPAPYCU-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol (CID 66144447) is 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CSc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol?
The InChIKey is BVSBPMDUPAPYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrOS/c1-11-6-8-12(9-7-11)14(17)10-18-15-5-3-2-4-13(15)16/h2-9,14,17H,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol?
2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol has a molecular weight of 323.26 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 66144447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).