[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol

C11H11BrOS — CID 130971621

IUPAC[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol
SMILESCc1cccc2c(CBr)c(CO)sc12
InChIInChI=1S/C11H11BrOS/c1-7-3-2-4-8-9(5-12)10(6-13)14-11(7)8/h2-4,13H,5-6H2,1H3
InChIKeySPVPFNATLXNIFY-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.60
Rot. Bonds2

About [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol

[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol (PubChem CID 130971621) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol
PubChem CID130971621
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol
SMILESCc1cccc2c(CBr)c(CO)sc12
InChIInChI=1S/C11H11BrOS/c1-7-3-2-4-8-9(5-12)10(6-13)14-11(7)8/h2-4,13H,5-6H2,1H3
InChIKeySPVPFNATLXNIFY-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
CID 130839099
4,6-dimethyldibenzothiophene
CID 161055331
2-(2-aminoethyl)-7-methyl-1-benzothiophen-3-ol
CID 112546008
3-ethyl-7-methyl-1-benzothiophene-2-carbaldehyde
CID 131124494
4,5-dimethylthioxanthen-9-one
CID 10800095
2-(bromomethyl)-1-benzothiophene-3,7-diol
CID 130969357
[7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol
CID 67186584
7-bromo-3-(bromomethyl)-1-benzothiophene-2-thiol
CID 131030774
7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene
CID 131146368
1-(bromomethyl)-5-methylnaphthalene
CID 15657418
[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol
CID 130803856
3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene
CID 131034319

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol?
The IUPAC name of [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol (CID 130971621) is [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol is Cc1cccc2c(CBr)c(CO)sc12.
What is the InChIKey of [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol?
The InChIKey is SPVPFNATLXNIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-7-3-2-4-8-9(5-12)10(6-13)14-11(7)8/h2-4,13H,5-6H2,1H3.
What are the key properties of [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol?
[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol has a molecular weight of 271.18 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 130971621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).