2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol

C11H11BrOS — CID 117120029

IUPAC2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol
SMILESCC(CO)c1cc2c(Br)cccc2s1
InChIInChI=1S/C11H11BrOS/c1-7(6-13)11-5-8-9(12)3-2-4-10(8)14-11/h2-5,7,13H,6H2,1H3
InChIKeyABCJGPGKSJWNCM-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.76
Rot. Bonds2

About 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol

2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol (PubChem CID 117120029) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol
PubChem CID117120029
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol
SMILESCC(CO)c1cc2c(Br)cccc2s1
InChIInChI=1S/C11H11BrOS/c1-7(6-13)11-5-8-9(12)3-2-4-10(8)14-11/h2-5,7,13H,6H2,1H3
InChIKeyABCJGPGKSJWNCM-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol
CID 117120003
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
methyl 2-(4-bromo-1-benzothiophen-2-yl)-2-hydroxyacetate
CID 115071904
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
4-bromo-2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172812
4-bromo-1-benzothiophene-2-carbonitrile
CID 56773829
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
CID 115113590
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
4-(4-bromo-1-benzothiophen-2-yl)morpholine
CID 129160692
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol (CID 117120029) is 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol is CC(CO)c1cc2c(Br)cccc2s1.
What is the InChIKey of 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol?
The InChIKey is ABCJGPGKSJWNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-7(6-13)11-5-8-9(12)3-2-4-10(8)14-11/h2-5,7,13H,6H2,1H3.
What are the key properties of 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol?
2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol has a molecular weight of 271.18 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-benzothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 117120029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).