1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol

C15H15BrOS — CID 82972642

IUPAC1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1cccc(Sc2cc(Br)ccc2C(C)O)c1
InChIInChI=1S/C15H15BrOS/c1-10-4-3-5-13(8-10)18-15-9-12(16)6-7-14(15)11(2)17/h3-9,11,17H,1-2H3
InChIKeyZBLHUAHWJHPJHC-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.96
Rot. Bonds3

About 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol

1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol (PubChem CID 82972642) has the molecular formula C15H15BrOS and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol
PubChem CID82972642
Molecular FormulaC15H15BrOS
Molecular Weight323.26 g/mol
Exact Mass322.00
IUPAC Name1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1cccc(Sc2cc(Br)ccc2C(C)O)c1
InChIInChI=1S/C15H15BrOS/c1-10-4-3-5-13(8-10)18-15-9-12(16)6-7-14(15)11(2)17/h3-9,11,17H,1-2H3
InChIKeyZBLHUAHWJHPJHC-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]-N-methylethanamine
CID 82969145
(1S)-1-[2-bromo-4-(3-methylphenyl)sulfanylphenyl]ethanol
CID 114070081
1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine
CID 82969698
1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol
CID 82972633
1-[4-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 82973683
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
1-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-bromophenyl]ethanol
CID 82973200
1-[4-bromo-2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]ethanol
CID 82973116
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 82973483
1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol
CID 151731354
2-(3-bromophenyl)sulfanyl-4-methylbenzoic acid
CID 55119725

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol (CID 82972642) is 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol is Cc1cccc(Sc2cc(Br)ccc2C(C)O)c1.
What is the InChIKey of 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol?
The InChIKey is ZBLHUAHWJHPJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrOS/c1-10-4-3-5-13(8-10)18-15-9-12(16)6-7-14(15)11(2)17/h3-9,11,17H,1-2H3.
What are the key properties of 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol?
1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol has a molecular weight of 323.26 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 82972642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).