5-pentadeca-2,8-dienylbenzene-1,3-diol

C21H32O2 — CID 75111208

IUPAC5-pentadeca-2,8-dienylbenzene-1,3-diol
SMILESCCCCCCC=CCCCCC=CCc1cc(O)cc(O)c1
InChIInChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,13-14,16-18,22-23H,2-6,9-12,15H2,1H3
InChIKeyRBMKZBCHFBGXFK-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.28
Rot. Bonds12

About 5-pentadeca-2,8-dienylbenzene-1,3-diol

5-pentadeca-2,8-dienylbenzene-1,3-diol (PubChem CID 75111208) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-pentadeca-2,8-dienylbenzene-1,3-diol.

Molecular Properties

Compound Name5-pentadeca-2,8-dienylbenzene-1,3-diol
PubChem CID75111208
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name5-pentadeca-2,8-dienylbenzene-1,3-diol
SMILESCCCCCCC=CCCCCC=CCc1cc(O)cc(O)c1
InChIInChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,13-14,16-18,22-23H,2-6,9-12,15H2,1H3
InChIKeyRBMKZBCHFBGXFK-UHFFFAOYSA-N
XLogP6.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-heptadec-2-enyl]benzene-1,3-diol
CID 131752392
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
5-[(E)-heptadec-4-enyl]benzene-1,3-diol
CID 11348570
5-undec-3-enylbenzene-1,3-diol
CID 71437101
5-[(E)-pentadec-10-enyl]benzene-1,3-diol
CID 101304434
5-tridec-8-enylbenzene-1,3-diol
CID 53436336
1-(3,5-dihydroxyphenyl)henicos-14-en-2-one
CID 72953865
1-(3,5-dihydroxyphenyl)nonadec-10-en-2-one
CID 85250956
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene
CID 101129319

Frequently Asked Questions

What is the IUPAC name of 5-pentadeca-2,8-dienylbenzene-1,3-diol?
The IUPAC name of 5-pentadeca-2,8-dienylbenzene-1,3-diol (CID 75111208) is 5-pentadeca-2,8-dienylbenzene-1,3-diol.
What is the SMILES notation for 5-pentadeca-2,8-dienylbenzene-1,3-diol?
The canonical SMILES for 5-pentadeca-2,8-dienylbenzene-1,3-diol is CCCCCCC=CCCCCC=CCc1cc(O)cc(O)c1.
What is the InChIKey of 5-pentadeca-2,8-dienylbenzene-1,3-diol?
The InChIKey is RBMKZBCHFBGXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,13-14,16-18,22-23H,2-6,9-12,15H2,1H3.
What are the key properties of 5-pentadeca-2,8-dienylbenzene-1,3-diol?
5-pentadeca-2,8-dienylbenzene-1,3-diol has a molecular weight of 316.49 g/mol, XLogP of 6.28, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentadeca-2,8-dienylbenzene-1,3-diol is sourced from PubChem (CID 75111208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).