2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde

C12H10O2S — CID 10353332

IUPAC2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1C(O)c1ccccc1
InChIInChI=1S/C12H10O2S/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-8,11,14H
InChIKeyRWZJDUGRQVMICA-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.64
Rot. Bonds3

About 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde

2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde (PubChem CID 10353332) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde
PubChem CID10353332
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1C(O)c1ccccc1
InChIInChI=1S/C12H10O2S/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-8,11,14H
InChIKeyRWZJDUGRQVMICA-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde?
The IUPAC name of 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde (CID 10353332) is 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde is O=Cc1ccsc1C(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde?
The InChIKey is RWZJDUGRQVMICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-8,11,14H.
What are the key properties of 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde?
2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 10353332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).