1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol

C13H13BrOS — CID 79595189

IUPAC1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cscc2Br)cc1
InChIInChI=1S/C13H13BrOS/c1-9-2-4-10(5-3-9)6-13(15)11-7-16-8-12(11)14/h2-5,7-8,13,15H,6H2,1H3
InChIKeyOKKAMPASZQUKGP-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol

1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol (PubChem CID 79595189) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
PubChem CID79595189
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cscc2Br)cc1
InChIInChI=1S/C13H13BrOS/c1-9-2-4-10(5-3-9)6-13(15)11-7-16-8-12(11)14/h2-5,7-8,13,15H,6H2,1H3
InChIKeyOKKAMPASZQUKGP-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-2-phenylethanol
CID 79596144
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115820172
1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol
CID 105113172
1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
CID 79590447
(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472
2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64990344
1-(4-bromothiophen-3-yl)dodecan-1-ol
CID 115819993
1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
CID 79595314
1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105113091
1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79594994
2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
CID 79596174

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol (CID 79595189) is 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol is Cc1ccc(CC(O)c2cscc2Br)cc1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol?
The InChIKey is OKKAMPASZQUKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-9-2-4-10(5-3-9)6-13(15)11-7-16-8-12(11)14/h2-5,7-8,13,15H,6H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol?
1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol has a molecular weight of 297.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 79595189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).