4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde

C17H16O3 — CID 23657447

IUPAC4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde
SMILESC=CCc1cc(-c2cc(C=O)ccc2O)ccc1OC
InChIInChI=1S/C17H16O3/c1-3-4-14-10-13(6-8-17(14)20-2)15-9-12(11-18)5-7-16(15)19/h3,5-11,19H,1,4H2,2H3
InChIKeyUNUXJXJQNIRFQB-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.61
Rot. Bonds5

About 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde

4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde (PubChem CID 23657447) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde
PubChem CID23657447
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde
SMILESC=CCc1cc(-c2cc(C=O)ccc2O)ccc1OC
InChIInChI=1S/C17H16O3/c1-3-4-14-10-13(6-8-17(14)20-2)15-9-12(11-18)5-7-16(15)19/h3,5-11,19H,1,4H2,2H3
InChIKeyUNUXJXJQNIRFQB-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde (CID 23657447) is 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde is C=CCc1cc(-c2cc(C=O)ccc2O)ccc1OC.
What is the InChIKey of 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde?
The InChIKey is UNUXJXJQNIRFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-4-14-10-13(6-8-17(14)20-2)15-9-12(11-18)5-7-16(15)19/h3,5-11,19H,1,4H2,2H3.
What are the key properties of 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde?
4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde has a molecular weight of 268.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methoxy-3-prop-2-enylphenyl)benzaldehyde is sourced from PubChem (CID 23657447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).