1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol

C13H13BrOS — CID 63016718

IUPAC1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
SMILESCc1cc(Br)ccc1C(O)Cc1ccsc1
InChIInChI=1S/C13H13BrOS/c1-9-6-11(14)2-3-12(9)13(15)7-10-4-5-16-8-10/h2-6,8,13,15H,7H2,1H3
InChIKeyNNHQRLXTEZIJBT-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol

1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol (PubChem CID 63016718) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
PubChem CID63016718
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
SMILESCc1cc(Br)ccc1C(O)Cc1ccsc1
InChIInChI=1S/C13H13BrOS/c1-9-6-11(14)2-3-12(9)13(15)7-10-4-5-16-8-10/h2-6,8,13,15H,7H2,1H3
InChIKeyNNHQRLXTEZIJBT-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-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687
1-(4-bromo-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980728
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 65307292
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol
CID 113396557
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
CID 105089473
1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
CID 114822893
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
2-(4-bromophenyl)-1-thiophen-3-ylethanol
CID 60797618
1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol (CID 63016718) is 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol is Cc1cc(Br)ccc1C(O)Cc1ccsc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol?
The InChIKey is NNHQRLXTEZIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-9-6-11(14)2-3-12(9)13(15)7-10-4-5-16-8-10/h2-6,8,13,15H,7H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol?
1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol 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-bromo-2-methylphenyl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 63016718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).