5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde

C11H12O3 — CID 139667208

IUPAC5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde
SMILESCCOc1cc(C=O)cc(C=O)c1C
InChIInChI=1S/C11H12O3/c1-3-14-11-5-9(6-12)4-10(7-13)8(11)2/h4-7H,3H2,1-2H3
InChIKeyZHBJFRWJABPNJM-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.02
Rot. Bonds4

About 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde

5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde (PubChem CID 139667208) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde
PubChem CID139667208
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde
SMILESCCOc1cc(C=O)cc(C=O)c1C
InChIInChI=1S/C11H12O3/c1-3-14-11-5-9(6-12)4-10(7-13)8(11)2/h4-7H,3H2,1-2H3
InChIKeyZHBJFRWJABPNJM-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.02
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-ethoxy-4,6-diformylbenzonitrile
CID 171031040
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
3-chloro-5-ethoxy-4-fluorobenzaldehyde
CID 164895508
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
2,3-diethoxy-5-iodobenzaldehyde
CID 100582153
3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde
CID 7138980
4-ethoxy-5-nitrobenzene-1,3-dicarbaldehyde
CID 171003716
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
4-butoxy-3-ethoxy-5-iodobenzaldehyde
CID 19617695

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde (CID 139667208) is 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde is CCOc1cc(C=O)cc(C=O)c1C.
What is the InChIKey of 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde?
The InChIKey is ZHBJFRWJABPNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-14-11-5-9(6-12)4-10(7-13)8(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde?
5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde has a molecular weight of 192.21 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 139667208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).