5-ethenyl-4-methoxy-2-methylbenzaldehyde

C11H12O2 — CID 167242721

IUPAC5-ethenyl-4-methoxy-2-methylbenzaldehyde
SMILESC=Cc1cc(C=O)c(C)cc1OC
InChIInChI=1S/C11H12O2/c1-4-9-6-10(7-12)8(2)5-11(9)13-3/h4-7H,1H2,2-3H3
InChIKeyLXKSVGXVDKRGTQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.46
Rot. Bonds3

About 5-ethenyl-4-methoxy-2-methylbenzaldehyde

5-ethenyl-4-methoxy-2-methylbenzaldehyde (PubChem CID 167242721) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 5-ethenyl-4-methoxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name5-ethenyl-4-methoxy-2-methylbenzaldehyde
PubChem CID167242721
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name5-ethenyl-4-methoxy-2-methylbenzaldehyde
SMILESC=Cc1cc(C=O)c(C)cc1OC
InChIInChI=1S/C11H12O2/c1-4-9-6-10(7-12)8(2)5-11(9)13-3/h4-7H,1H2,2-3H3
InChIKeyLXKSVGXVDKRGTQ-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.46
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

1-but-1-en-3-ynyl-5-ethenyl-4-methoxy-2-methylbenzene
CID 90737109
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044
5-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171022024
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168
4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
CID 59223904
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
5-(1-adamantyl)-4-methoxy-2-methylbenzaldehyde
CID 88525555
(5-formyl-2-methoxy-4-methylphenyl) trifluoromethanesulfonate
CID 101194457
1,2,4-tris(ethenyl)-5-methylbenzene
CID 59335502

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methoxy-2-methylbenzaldehyde?
The IUPAC name of 5-ethenyl-4-methoxy-2-methylbenzaldehyde (CID 167242721) is 5-ethenyl-4-methoxy-2-methylbenzaldehyde.
What is the SMILES notation for 5-ethenyl-4-methoxy-2-methylbenzaldehyde?
The canonical SMILES for 5-ethenyl-4-methoxy-2-methylbenzaldehyde is C=Cc1cc(C=O)c(C)cc1OC.
What is the InChIKey of 5-ethenyl-4-methoxy-2-methylbenzaldehyde?
The InChIKey is LXKSVGXVDKRGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-4-9-6-10(7-12)8(2)5-11(9)13-3/h4-7H,1H2,2-3H3.
What are the key properties of 5-ethenyl-4-methoxy-2-methylbenzaldehyde?
5-ethenyl-4-methoxy-2-methylbenzaldehyde has a molecular weight of 176.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methoxy-2-methylbenzaldehyde is sourced from PubChem (CID 167242721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).