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

C16H14O3 — CID 5319190

IUPAC4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde
SMILESC=CCc1cc(-c2cc(C=O)ccc2O)ccc1O
InChIInChI=1S/C16H14O3/c1-2-3-13-9-12(5-7-15(13)18)14-8-11(10-17)4-6-16(14)19/h2,4-10,18-19H,1,3H2
InChIKeyGTEXHGPQCNGASJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.31
Rot. Bonds4

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

4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde (PubChem CID 5319190) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde
PubChem CID5319190
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde
SMILESC=CCc1cc(-c2cc(C=O)ccc2O)ccc1O
InChIInChI=1S/C16H14O3/c1-2-3-13-9-12(5-7-15(13)18)14-8-11(10-17)4-6-16(14)19/h2,4-10,18-19H,1,3H2
InChIKeyGTEXHGPQCNGASJ-UHFFFAOYSA-N
XLogP3.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
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-hydroxy-3-prop-2-enylphenyl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde (CID 5319190) is 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde is C=CCc1cc(-c2cc(C=O)ccc2O)ccc1O.
What is the InChIKey of 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde?
The InChIKey is GTEXHGPQCNGASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-3-13-9-12(5-7-15(13)18)14-8-11(10-17)4-6-16(14)19/h2,4-10,18-19H,1,3H2.
What are the key properties of 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde?
4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde has a molecular weight of 254.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)benzaldehyde is sourced from PubChem (CID 5319190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).