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

C13H12O2S — CID 172650181

IUPAC4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde
SMILESCOc1ccc(C=O)c(-c2cc(C)cs2)c1
InChIInChI=1S/C13H12O2S/c1-9-5-13(16-8-9)12-6-11(15-2)4-3-10(12)7-14/h3-8H,1-2H3
InChIKeyUEMLRZZOPOFMGB-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.54
Rot. Bonds3

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

4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde (PubChem CID 172650181) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde
PubChem CID172650181
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde
SMILESCOc1ccc(C=O)c(-c2cc(C)cs2)c1
InChIInChI=1S/C13H12O2S/c1-9-5-13(16-8-9)12-6-11(15-2)4-3-10(12)7-14/h3-8H,1-2H3
InChIKeyUEMLRZZOPOFMGB-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'}

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Related Compounds

2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
CID 172650125
4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde
CID 172649224
3-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
CID 172650113
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
4-methoxy-2-pyrazin-2-ylbenzaldehyde
CID 22216617
2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde
CID 172649146
4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde
CID 87632317
2-(2-acetylphenyl)-4-methoxybenzaldehyde
CID 42645678
4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde
CID 172650140
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121
(2-formyl-5-methoxyphenyl)-trimethylazanium
CID 57461915

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde?
The IUPAC name of 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde (CID 172650181) is 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde.
What is the SMILES notation for 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde?
The canonical SMILES for 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde is COc1ccc(C=O)c(-c2cc(C)cs2)c1.
What is the InChIKey of 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde?
The InChIKey is UEMLRZZOPOFMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9-5-13(16-8-9)12-6-11(15-2)4-3-10(12)7-14/h3-8H,1-2H3.
What are the key properties of 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde?
4-methoxy-2-(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 4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde is sourced from PubChem (CID 172650181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).