3-methoxy-4-prop-1-enoxybenzaldehyde

C11H12O3 — CID 54295284

IUPAC3-methoxy-4-prop-1-enoxybenzaldehyde
SMILESCC=COc1ccc(C=O)cc1OC
InChIInChI=1S/C11H12O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h3-8H,1-2H3
InChIKeySAJJUAJODBEANP-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.42
Rot. Bonds4

About 3-methoxy-4-prop-1-enoxybenzaldehyde

3-methoxy-4-prop-1-enoxybenzaldehyde (PubChem CID 54295284) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-methoxy-4-prop-1-enoxybenzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-prop-1-enoxybenzaldehyde
PubChem CID54295284
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-methoxy-4-prop-1-enoxybenzaldehyde
SMILESCC=COc1ccc(C=O)cc1OC
InChIInChI=1S/C11H12O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h3-8H,1-2H3
InChIKeySAJJUAJODBEANP-UHFFFAOYSA-N
XLogP2.42
TPSA35.53 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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde
CID 153469234
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate
CID 162660867
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
(4-formyl-2-methoxyphenyl) nitrate
CID 22323696
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-prop-1-enoxybenzaldehyde?
The IUPAC name of 3-methoxy-4-prop-1-enoxybenzaldehyde (CID 54295284) is 3-methoxy-4-prop-1-enoxybenzaldehyde.
What is the SMILES notation for 3-methoxy-4-prop-1-enoxybenzaldehyde?
The canonical SMILES for 3-methoxy-4-prop-1-enoxybenzaldehyde is CC=COc1ccc(C=O)cc1OC.
What is the InChIKey of 3-methoxy-4-prop-1-enoxybenzaldehyde?
The InChIKey is SAJJUAJODBEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h3-8H,1-2H3.
What are the key properties of 3-methoxy-4-prop-1-enoxybenzaldehyde?
3-methoxy-4-prop-1-enoxybenzaldehyde has a molecular weight of 192.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-prop-1-enoxybenzaldehyde is sourced from PubChem (CID 54295284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).