4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde

C15H20O2 — CID 19375121

IUPAC4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde
SMILESCCCCC/C=C/Cc1cc(C=O)ccc1O
InChIInChI=1S/C15H20O2/c1-2-3-4-5-6-7-8-14-11-13(12-16)9-10-15(14)17/h6-7,9-12,17H,2-5,8H2,1H3/b7-6+
InChIKeyIUQHLZWZGZKJIU-VOTSOKGWSA-N
MW232.32 g/mol
LogP3.88
Rot. Bonds7

About 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde

4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde (PubChem CID 19375121) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde
PubChem CID19375121
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde
SMILESCCCCC/C=C/Cc1cc(C=O)ccc1O
InChIInChI=1S/C15H20O2/c1-2-3-4-5-6-7-8-14-11-13(12-16)9-10-15(14)17/h6-7,9-12,17H,2-5,8H2,1H3/b7-6+
InChIKeyIUQHLZWZGZKJIU-VOTSOKGWSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-pentylbenzaldehyde
CID 57447727
3-dec-2-enyl-4-hydroxybenzoic acid
CID 158619955
4-hydroxy-3-propylbenzaldehyde
CID 57447725
2-hexadec-2-enyl-5-methylbenzene-1,4-diol
CID 67844524
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxybenzaldehyde
CID 5365915
4-octadec-9-enoylbenzaldehyde
CID 173082747
2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide
CID 11997099
3-hydroxy-4-octoxybenzaldehyde
CID 59691799
3-(tetradec-4-enylamino)benzaldehyde
CID 54044389
5-[(E)-heptadec-2-enyl]benzene-1,3-diol
CID 131752392
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde?
The IUPAC name of 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde (CID 19375121) is 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde?
The canonical SMILES for 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde is CCCCC/C=C/Cc1cc(C=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde?
The InChIKey is IUQHLZWZGZKJIU-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-4-5-6-7-8-14-11-13(12-16)9-10-15(14)17/h6-7,9-12,17H,2-5,8H2,1H3/b7-6+.
What are the key properties of 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde?
4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde is sourced from PubChem (CID 19375121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).