5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde

C12H10O2S — CID 23080398

IUPAC5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(CO)cc2)s1
InChIInChI=1S/C12H10O2S/c13-7-9-1-3-10(4-2-9)12-6-5-11(8-14)15-12/h1-6,8,13H,7H2
InChIKeyNBFLMAYFXVNFSV-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.72
Rot. Bonds3

About 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde

5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde (PubChem CID 23080398) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde
PubChem CID23080398
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(CO)cc2)s1
InChIInChI=1S/C12H10O2S/c13-7-9-1-3-10(4-2-9)12-6-5-11(8-14)15-12/h1-6,8,13H,7H2
InChIKeyNBFLMAYFXVNFSV-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde (CID 23080398) is 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(CO)cc2)s1.
What is the InChIKey of 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde?
The InChIKey is NBFLMAYFXVNFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-7-9-1-3-10(4-2-9)12-6-5-11(8-14)15-12/h1-6,8,13H,7H2.
What are the key properties of 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde?
5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 23080398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).