2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde

C18H24O3 — CID 171118921

IUPAC2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde
SMILESCCCCC(O)CC/C=C/C=C/c1cccc(O)c1C=O
InChIInChI=1S/C18H24O3/c1-2-3-11-16(20)12-7-5-4-6-9-15-10-8-13-18(21)17(15)14-19/h4-6,8-10,13-14,16,20-21H,2-3,7,11-12H2,1H3/b5-4+,9-6+
InChIKeyFCHLSECGCHCCEV-HSKKLARCSA-N
MW288.39 g/mol
LogP4.11
Rot. Bonds9

About 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde

2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde (PubChem CID 171118921) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde
PubChem CID171118921
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde
SMILESCCCCC(O)CC/C=C/C=C/c1cccc(O)c1C=O
InChIInChI=1S/C18H24O3/c1-2-3-11-16(20)12-7-5-4-6-9-15-10-8-13-18(21)17(15)14-19/h4-6,8-10,13-14,16,20-21H,2-3,7,11-12H2,1H3/b5-4+,9-6+
InChIKeyFCHLSECGCHCCEV-HSKKLARCSA-N
XLogP4.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-6-nona-1,3-dienylbenzaldehyde
CID 162816221
2-octa-1,3-dienylphenol
CID 54092888
2-hydroxy-6-(4-oxobut-1-enyl)benzaldehyde
CID 170481716
2-pentadeca-1,3,5-trienylbenzene-1,3-diol
CID 91476848
2-(4-bromobut-1-enyl)-6-hydroxybenzaldehyde
CID 170497308
2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde
CID 170486809
2-hydroxy-6-[(E,3R)-3-hydroxy-4-oxopent-1-enyl]benzaldehyde
CID 71525112
deuterio-[2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxyphenyl]methanone
CID 56652811
3-hexa-1,3-dienylbenzene-1,2-diol
CID 139623398
2-hydroxy-6-[(E)-6-hydroxyhept-2-enyl]benzaldehyde
CID 122389751
2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
2-hexyl-6-hydroxybenzaldehyde
CID 19389412

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde (CID 171118921) is 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde is CCCCC(O)CC/C=C/C=C/c1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde?
The InChIKey is FCHLSECGCHCCEV-HSKKLARCSA-N. The full InChI is InChI=1S/C18H24O3/c1-2-3-11-16(20)12-7-5-4-6-9-15-10-8-13-18(21)17(15)14-19/h4-6,8-10,13-14,16,20-21H,2-3,7,11-12H2,1H3/b5-4+,9-6+.
What are the key properties of 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde?
2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde has a molecular weight of 288.39 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde is sourced from PubChem (CID 171118921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).