2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde

C11H10OS — CID 117194333

IUPAC2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde
SMILESCc1cccc2sc(CC=O)cc12
InChIInChI=1S/C11H10OS/c1-8-3-2-4-11-10(8)7-9(13-11)5-6-12/h2-4,6-7H,5H2,1H3
InChIKeyAQXDQFHTLVCMPV-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.95
Rot. Bonds2

About 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde

2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde (PubChem CID 117194333) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde
PubChem CID117194333
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde
SMILESCc1cccc2sc(CC=O)cc12
InChIInChI=1S/C11H10OS/c1-8-3-2-4-11-10(8)7-9(13-11)5-6-12/h2-4,6-7H,5H2,1H3
InChIKeyAQXDQFHTLVCMPV-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol
CID 117184783
2-(6-methyldibenzothiophen-1-yl)acetaldehyde
CID 13128340
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
1-(4-methyl-1-benzothiophen-2-yl)propan-1-one
CID 22473751
2-tert-butyl-4-methyl-1-benzothiophene
CID 20747379
2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol
CID 117120003
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-one
CID 117194420
4-methyl-2-[11-(3,4,5-trimethoxyphenyl)undeca-4,6,10-trienyl]-1-benzothiophene
CID 173271196
2-ethyl-4-iodo-1-benzothiophene
CID 135322307
2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene
CID 14398702
2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine
CID 115113984

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde?
The IUPAC name of 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde (CID 117194333) is 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde is Cc1cccc2sc(CC=O)cc12.
What is the InChIKey of 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde?
The InChIKey is AQXDQFHTLVCMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-8-3-2-4-11-10(8)7-9(13-11)5-6-12/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde?
2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde has a molecular weight of 190.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde is sourced from PubChem (CID 117194333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).