2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde

C13H12O2S — CID 172650125

IUPAC2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
SMILESCOc1ccc(-c2cc(C)cs2)cc1C=O
InChIInChI=1S/C13H12O2S/c1-9-5-13(16-8-9)10-3-4-12(15-2)11(6-10)7-14/h3-8H,1-2H3
InChIKeyPNNKYKIDEMQSOH-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.54
Rot. Bonds3

About 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde

2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde (PubChem CID 172650125) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
PubChem CID172650125
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
SMILESCOc1ccc(-c2cc(C)cs2)cc1C=O
InChIInChI=1S/C13H12O2S/c1-9-5-13(16-8-9)10-3-4-12(15-2)11(6-10)7-14/h3-8H,1-2H3
InChIKeyPNNKYKIDEMQSOH-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde 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-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
CID 107360530
[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol
CID 172650126
4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde
CID 172650181
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
2-methoxy-5-(thiadiazol-4-yl)benzaldehyde
CID 22620096
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
3-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
CID 172650113
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
2-methoxy-5-(2,3,4,6-tetrachlorophenyl)benzaldehyde
CID 105350008
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde (CID 172650125) is 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde is COc1ccc(-c2cc(C)cs2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde?
The InChIKey is PNNKYKIDEMQSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9-5-13(16-8-9)10-3-4-12(15-2)11(6-10)7-14/h3-8H,1-2H3.
What are the key properties of 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde?
2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde has a molecular weight of 232.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde is sourced from PubChem (CID 172650125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).