2-ethenyl-3-methoxybenzaldehyde

C10H10O2 — CID 10487197

IUPAC2-ethenyl-3-methoxybenzaldehyde
SMILESC=Cc1c(C=O)cccc1OC
InChIInChI=1S/C10H10O2/c1-3-9-8(7-11)5-4-6-10(9)12-2/h3-7H,1H2,2H3
InChIKeyMODHGECEDFHRRN-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.15
Rot. Bonds3

About 2-ethenyl-3-methoxybenzaldehyde

2-ethenyl-3-methoxybenzaldehyde (PubChem CID 10487197) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-ethenyl-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-ethenyl-3-methoxybenzaldehyde
PubChem CID10487197
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-ethenyl-3-methoxybenzaldehyde
SMILESC=Cc1c(C=O)cccc1OC
InChIInChI=1S/C10H10O2/c1-3-9-8(7-11)5-4-6-10(9)12-2/h3-7H,1H2,2H3
InChIKeyMODHGECEDFHRRN-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.15
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

2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-(2-formylphenoxy)-6-methoxybenzaldehyde
CID 102334226
2-[(1E,4E)-5-(2,6-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]-3-methoxybenzaldehyde
CID 126587171
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-(hydroxymethyl)-2-methylpropane-1,3-diol;3-methoxyphthalaldehyde
CID 175477698
2-hydroxy-3-methoxybenzaldehyde
CID 8991
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
CID 88997100
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-ethenyl-3-fluorobenzaldehyde
CID 86657571
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
3-methoxy-2-methylselanylbenzaldehyde
CID 140629309

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methoxybenzaldehyde?
The IUPAC name of 2-ethenyl-3-methoxybenzaldehyde (CID 10487197) is 2-ethenyl-3-methoxybenzaldehyde.
What is the SMILES notation for 2-ethenyl-3-methoxybenzaldehyde?
The canonical SMILES for 2-ethenyl-3-methoxybenzaldehyde is C=Cc1c(C=O)cccc1OC.
What is the InChIKey of 2-ethenyl-3-methoxybenzaldehyde?
The InChIKey is MODHGECEDFHRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-9-8(7-11)5-4-6-10(9)12-2/h3-7H,1H2,2H3.
What are the key properties of 2-ethenyl-3-methoxybenzaldehyde?
2-ethenyl-3-methoxybenzaldehyde has a molecular weight of 162.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methoxybenzaldehyde is sourced from PubChem (CID 10487197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).