(6-bromo-3-methyl-1-benzothiophen-7-yl)methanol

C10H9BrOS — CID 131014253

IUPAC(6-bromo-3-methyl-1-benzothiophen-7-yl)methanol
SMILESCc1csc2c(CO)c(Br)ccc12
InChIInChI=1S/C10H9BrOS/c1-6-5-13-10-7(6)2-3-9(11)8(10)4-12/h2-3,5,12H,4H2,1H3
InChIKeyPCDQYTJUBKWWGS-UHFFFAOYSA-N
MW257.15 g/mol
LogP3.46
Rot. Bonds1

About (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol

(6-bromo-3-methyl-1-benzothiophen-7-yl)methanol (PubChem CID 131014253) has the molecular formula C10H9BrOS and a molecular weight of 257.15 g/mol. Its IUPAC name is (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzothiophen-7-yl)methanol
PubChem CID131014253
Molecular FormulaC10H9BrOS
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name(6-bromo-3-methyl-1-benzothiophen-7-yl)methanol
SMILESCc1csc2c(CO)c(Br)ccc12
InChIInChI=1S/C10H9BrOS/c1-6-5-13-10-7(6)2-3-9(11)8(10)4-12/h2-3,5,12H,4H2,1H3
InChIKeyPCDQYTJUBKWWGS-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

6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081
4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800
6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130914822
7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene
CID 130840063
(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol
CID 131196624
6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol
CID 131145125
(6-bromo-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130884273
3-(bromomethyl)-7-ethyl-6-methyl-1-benzothiophene
CID 131053455
(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol
CID 131122786
3-bromo-7-(bromomethyl)-1-benzothiophen-6-ol
CID 131060149
7-(bromomethyl)-3-methyl-1-benzothiophene
CID 14780499
6-ethoxy-3-methyl-1-benzothiophen-7-ol
CID 130826703

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol?
The IUPAC name of (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol (CID 131014253) is (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol is Cc1csc2c(CO)c(Br)ccc12.
What is the InChIKey of (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol?
The InChIKey is PCDQYTJUBKWWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS/c1-6-5-13-10-7(6)2-3-9(11)8(10)4-12/h2-3,5,12H,4H2,1H3.
What are the key properties of (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol?
(6-bromo-3-methyl-1-benzothiophen-7-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 (6-bromo-3-methyl-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 131014253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).