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

C15H15BrOS — CID 63814435

IUPAC1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccc(Sc2ccc(C(C)O)cc2Br)cc1
InChIInChI=1S/C15H15BrOS/c1-10-3-6-13(7-4-10)18-15-8-5-12(11(2)17)9-14(15)16/h3-9,11,17H,1-2H3
InChIKeyZAPBDEXOHWWJQA-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.96
Rot. Bonds3

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

1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol (PubChem CID 63814435) has the molecular formula C15H15BrOS and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol
PubChem CID63814435
Molecular FormulaC15H15BrOS
Molecular Weight323.26 g/mol
Exact Mass322.00
IUPAC Name1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccc(Sc2ccc(C(C)O)cc2Br)cc1
InChIInChI=1S/C15H15BrOS/c1-10-3-6-13(7-4-10)18-15-8-5-12(11(2)17)9-14(15)16/h3-9,11,17H,1-2H3
InChIKeyZAPBDEXOHWWJQA-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-[3-bromo-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 63814157
(1S)-1-[3-bromo-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 65041045
(1R)-1-(3-bromo-4-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952023
2-bromo-1-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)benzene
CID 68683971
(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403
(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238900
1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63813564
1-(3-bromo-4-ethylsulfanylphenyl)ethanol
CID 63813802
(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951532
3-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]sulfanylbutan-2-ol
CID 107772323
3-bromo-4-(4-methylphenyl)sulfanylbenzaldehyde
CID 18669010
1-[3-bromo-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 62912787

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol (CID 63814435) is 1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol is Cc1ccc(Sc2ccc(C(C)O)cc2Br)cc1.
What is the InChIKey of 1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol?
The InChIKey is ZAPBDEXOHWWJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrOS/c1-10-3-6-13(7-4-10)18-15-8-5-12(11(2)17)9-14(15)16/h3-9,11,17H,1-2H3.
What are the key properties of 1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol?
1-[3-bromo-4-(4-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-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63814435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).