7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde

C11H10O2S — CID 130914820

IUPAC7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde
SMILESCc1cc2cc(C=O)cc(CO)c2s1
InChIInChI=1S/C11H10O2S/c1-7-2-9-3-8(5-12)4-10(6-13)11(9)14-7/h2-5,13H,6H2,1H3
InChIKeyOSJMPHQTBBVHIA-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.51
Rot. Bonds2

About 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde

7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde (PubChem CID 130914820) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde
PubChem CID130914820
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde
SMILESCc1cc2cc(C=O)cc(CO)c2s1
InChIInChI=1S/C11H10O2S/c1-7-2-9-3-8(5-12)4-10(6-13)11(9)14-7/h2-5,13H,6H2,1H3
InChIKeyOSJMPHQTBBVHIA-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-tris(hydroxymethyl)benzaldehyde
CID 89137549
(2-methyl-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131057346
2-(2-methyl-1-benzothiophen-7-yl)ethanol
CID 12623874
5-(hydroxymethyl)-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131196044
3,5-bis(hydroxymethyl)benzaldehyde
CID 87583530
7-(hydroxymethyl)-2-methyl-1-benzothiophene-4-carbonitrile
CID 130884878
[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol
CID 131145347
[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol
CID 130803856
(3-ethyl-5-methylthiophen-2-yl)methanol
CID 130652443
[5-amino-2-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130826434
4-propylnaphthalene-2-carbaldehyde
CID 54544102
2-iodo-7-methylsulfanyl-1-benzothiophene-5-carbaldehyde
CID 130913565

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde (CID 130914820) is 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde is Cc1cc2cc(C=O)cc(CO)c2s1.
What is the InChIKey of 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde?
The InChIKey is OSJMPHQTBBVHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-7-2-9-3-8(5-12)4-10(6-13)11(9)14-7/h2-5,13H,6H2,1H3.
What are the key properties of 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde?
7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde has a molecular weight of 206.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-methyl-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 130914820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).