3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde

C11H12O4 — CID 86025869

IUPAC3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde
SMILESC=CCOc1c(C=O)ccc(OC)c1O
InChIInChI=1S/C11H12O4/c1-3-6-15-11-8(7-12)4-5-9(14-2)10(11)13/h3-5,7,13H,1,6H2,2H3
InChIKeyQKIPWYLKSLZAFJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.78
Rot. Bonds5

About 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde

3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde (PubChem CID 86025869) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde
PubChem CID86025869
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde
SMILESC=CCOc1c(C=O)ccc(OC)c1O
InChIInChI=1S/C11H12O4/c1-3-6-15-11-8(7-12)4-5-9(14-2)10(11)13/h3-5,7,13H,1,6H2,2H3
InChIKeyQKIPWYLKSLZAFJ-UHFFFAOYSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
(6-formyl-2-hydroxy-3-methoxyphenyl) 4-methylbenzenesulfonate
CID 46850683
4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
CID 142702525
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
CID 169453822
2-(3-chloro-1,2-dihydroxypropyl)-3-hydroxy-4-methoxybenzaldehyde
CID 171862634

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde?
The IUPAC name of 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde (CID 86025869) is 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde.
What is the SMILES notation for 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde?
The canonical SMILES for 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde is C=CCOc1c(C=O)ccc(OC)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde?
The InChIKey is QKIPWYLKSLZAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-3-6-15-11-8(7-12)4-5-9(14-2)10(11)13/h3-5,7,13H,1,6H2,2H3.
What are the key properties of 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde?
3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde has a molecular weight of 208.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde is sourced from PubChem (CID 86025869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).