3-(thiophen-2-ylmethyl)benzaldehyde

C12H10OS — CID 154360412

IUPAC3-(thiophen-2-ylmethyl)benzaldehyde
SMILESO=Cc1cccc(Cc2cccs2)c1
InChIInChI=1S/C12H10OS/c13-9-11-4-1-3-10(7-11)8-12-5-2-6-14-12/h1-7,9H,8H2
InChIKeyJOPBOSJRGCCXDL-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.15
Rot. Bonds3

About 3-(thiophen-2-ylmethyl)benzaldehyde

3-(thiophen-2-ylmethyl)benzaldehyde (PubChem CID 154360412) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)benzaldehyde
PubChem CID154360412
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name3-(thiophen-2-ylmethyl)benzaldehyde
SMILESO=Cc1cccc(Cc2cccs2)c1
InChIInChI=1S/C12H10OS/c13-9-11-4-1-3-10(7-11)8-12-5-2-6-14-12/h1-7,9H,8H2
InChIKeyJOPBOSJRGCCXDL-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.15
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

3-(2-oxoethyl)benzaldehyde
CID 54321672
3-(thiophen-2-ylmethyl)benzoyl chloride
CID 175504095
3-(2-thiophen-2-ylethoxy)benzaldehyde
CID 63775498
3-benzylbenzaldehyde;(3-benzylphenyl)methanol
CID 160613010
4-(thiophen-2-ylmethyl)phenol
CID 605440
3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde
CID 19390188
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
3-[(4-bromothiophen-2-yl)sulfanylmethyl]benzaldehyde
CID 19744634
3-prop-2-ynylbenzaldehyde
CID 55262963
2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene
CID 146653355
3-(oxetan-3-ylmethyl)benzaldehyde
CID 176709623
3-(4-methylpentyl)benzaldehyde
CID 139685907

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)benzaldehyde?
The IUPAC name of 3-(thiophen-2-ylmethyl)benzaldehyde (CID 154360412) is 3-(thiophen-2-ylmethyl)benzaldehyde.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)benzaldehyde?
The canonical SMILES for 3-(thiophen-2-ylmethyl)benzaldehyde is O=Cc1cccc(Cc2cccs2)c1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)benzaldehyde?
The InChIKey is JOPBOSJRGCCXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-9-11-4-1-3-10(7-11)8-12-5-2-6-14-12/h1-7,9H,8H2.
What are the key properties of 3-(thiophen-2-ylmethyl)benzaldehyde?
3-(thiophen-2-ylmethyl)benzaldehyde has a molecular weight of 202.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)benzaldehyde is sourced from PubChem (CID 154360412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).