2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde

C13H14O2 — CID 25137677

IUPAC2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
SMILESC=CCc1cc(C=O)c(O)c(CC=C)c1
InChIInChI=1S/C13H14O2/c1-3-5-10-7-11(6-4-2)13(15)12(8-10)9-14/h3-4,7-9,15H,1-2,5-6H2
InChIKeyKYKUJZCFZGXZPI-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.66
Rot. Bonds5

About 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde

2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde (PubChem CID 25137677) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
PubChem CID25137677
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
SMILESC=CCc1cc(C=O)c(O)c(CC=C)c1
InChIInChI=1S/C13H14O2/c1-3-5-10-7-11(6-4-2)13(15)12(8-10)9-14/h3-4,7-9,15H,1-2,5-6H2
InChIKeyKYKUJZCFZGXZPI-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde (CID 25137677) is 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde is C=CCc1cc(C=O)c(O)c(CC=C)c1.
What is the InChIKey of 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde?
The InChIKey is KYKUJZCFZGXZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-5-10-7-11(6-4-2)13(15)12(8-10)9-14/h3-4,7-9,15H,1-2,5-6H2.
What are the key properties of 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde?
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde has a molecular weight of 202.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde is sourced from PubChem (CID 25137677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).