(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol

C10H9BrOS — CID 130870514

IUPAC(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol
SMILESCc1cc2c(Br)csc2cc1CO
InChIInChI=1S/C10H9BrOS/c1-6-2-8-9(11)5-13-10(8)3-7(6)4-12/h2-3,5,12H,4H2,1H3
InChIKeyPOFMFDOQQXXOKO-UHFFFAOYSA-N
MW257.15 g/mol
LogP3.46
Rot. Bonds1

About (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol

(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol (PubChem CID 130870514) has the molecular formula C10H9BrOS and a molecular weight of 257.15 g/mol. Its IUPAC name is (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol
PubChem CID130870514
Molecular FormulaC10H9BrOS
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol
SMILESCc1cc2c(Br)csc2cc1CO
InChIInChI=1S/C10H9BrOS/c1-6-2-8-9(11)5-13-10(8)3-7(6)4-12/h2-3,5,12H,4H2,1H3
InChIKeyPOFMFDOQQXXOKO-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2,5-dimethylphenyl)methanol
CID 23584045
(5-bromo-2,4-dimethylphenyl)methanol;ethane
CID 176929029
3-bromo-6-ethyl-1-benzothiophene-5-carbonitrile
CID 131215378
(4-bromo-3-methyl-1-benzothiophen-6-yl)methanol
CID 130839310
(5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol
CID 130816909
3-bromo-6-chloro-5-(chloromethyl)-1-benzothiophene
CID 131138182
(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
CID 130884325
5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine
CID 130883990
(6-fluoro-1-benzothiophen-3-yl)methanol
CID 71649882
6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol (CID 130870514) is (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol is Cc1cc2c(Br)csc2cc1CO.
What is the InChIKey of (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol?
The InChIKey is POFMFDOQQXXOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS/c1-6-2-8-9(11)5-13-10(8)3-7(6)4-12/h2-3,5,12H,4H2,1H3.
What are the key properties of (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol?
(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol has a molecular weight of 257.15 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130870514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).