5-[(Z)-non-2-enyl]benzene-1,3-diol

C15H22O2 — CID 10704873

IUPAC5-[(Z)-non-2-enyl]benzene-1,3-diol
SMILESCCCCCC/C=C\Cc1cc(O)cc(O)c1
InChIInChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h7-8,10-12,16-17H,2-6,9H2,1H3/b8-7-
InChIKeyVKWFGJNPZKSIEL-FPLPWBNLSA-N
MW234.34 g/mol
LogP4.17
Rot. Bonds7

About 5-[(Z)-non-2-enyl]benzene-1,3-diol

5-[(Z)-non-2-enyl]benzene-1,3-diol (PubChem CID 10704873) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-[(Z)-non-2-enyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(Z)-non-2-enyl]benzene-1,3-diol
PubChem CID10704873
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-[(Z)-non-2-enyl]benzene-1,3-diol
SMILESCCCCCC/C=C\Cc1cc(O)cc(O)c1
InChIInChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h7-8,10-12,16-17H,2-6,9H2,1H3/b8-7-
InChIKeyVKWFGJNPZKSIEL-FPLPWBNLSA-N
XLogP4.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-non-2-enyl]benzene-1,3-diol?
The IUPAC name of 5-[(Z)-non-2-enyl]benzene-1,3-diol (CID 10704873) is 5-[(Z)-non-2-enyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(Z)-non-2-enyl]benzene-1,3-diol?
The canonical SMILES for 5-[(Z)-non-2-enyl]benzene-1,3-diol is CCCCCC/C=C\Cc1cc(O)cc(O)c1.
What is the InChIKey of 5-[(Z)-non-2-enyl]benzene-1,3-diol?
The InChIKey is VKWFGJNPZKSIEL-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h7-8,10-12,16-17H,2-6,9H2,1H3/b8-7-.
What are the key properties of 5-[(Z)-non-2-enyl]benzene-1,3-diol?
5-[(Z)-non-2-enyl]benzene-1,3-diol has a molecular weight of 234.34 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-non-2-enyl]benzene-1,3-diol is sourced from PubChem (CID 10704873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).