2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde

C14H10O2S3 — CID 57321364

IUPAC2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde
SMILESO=Cc1cc(-c2ccc(-c3cccs3)s2)sc1CO
InChIInChI=1S/C14H10O2S3/c15-7-9-6-13(19-14(9)8-16)12-4-3-11(18-12)10-2-1-5-17-10/h1-7,16H,8H2
InChIKeyVWNZVXFNZGWTJY-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.51
Rot. Bonds4

About 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde

2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde (PubChem CID 57321364) has the molecular formula C14H10O2S3 and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde
PubChem CID57321364
Molecular FormulaC14H10O2S3
Molecular Weight306.43 g/mol
Exact Mass305.98
IUPAC Name2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde
SMILESO=Cc1cc(-c2ccc(-c3cccs3)s2)sc1CO
InChIInChI=1S/C14H10O2S3/c15-7-9-6-13(19-14(9)8-16)12-4-3-11(18-12)10-2-1-5-17-10/h1-7,16H,8H2
InChIKeyVWNZVXFNZGWTJY-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
CID 141257903
2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
CID 122234024
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid
CID 101473229
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid
CID 121380606

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde?
The IUPAC name of 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde (CID 57321364) is 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde is O=Cc1cc(-c2ccc(-c3cccs3)s2)sc1CO.
What is the InChIKey of 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde?
The InChIKey is VWNZVXFNZGWTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S3/c15-7-9-6-13(19-14(9)8-16)12-4-3-11(18-12)10-2-1-5-17-10/h1-7,16H,8H2.
What are the key properties of 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde?
2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde has a molecular weight of 306.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde is sourced from PubChem (CID 57321364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).