2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol

C17H24O2 — CID 46173939

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol
SMILESCOc1cccc(C/C=C(\C)CCC=C(C)C)c1O
InChIInChI=1S/C17H24O2/c1-13(2)7-5-8-14(3)11-12-15-9-6-10-16(19-4)17(15)18/h6-7,9-11,18H,5,8,12H2,1-4H3/b14-11+
InChIKeyZNGWNKADFSBHQZ-SDNWHVSQSA-N
MW260.38 g/mol
LogP4.64
Rot. Bonds6

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol (PubChem CID 46173939) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol
PubChem CID46173939
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol
SMILESCOc1cccc(C/C=C(\C)CCC=C(C)C)c1O
InChIInChI=1S/C17H24O2/c1-13(2)7-5-8-14(3)11-12-15-9-6-10-16(19-4)17(15)18/h6-7,9-11,18H,5,8,12H2,1-4H3/b14-11+
InChIKeyZNGWNKADFSBHQZ-SDNWHVSQSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol (CID 46173939) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol is COc1cccc(C/C=C(\C)CCC=C(C)C)c1O.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol?
The InChIKey is ZNGWNKADFSBHQZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(2)7-5-8-14(3)11-12-15-9-6-10-16(19-4)17(15)18/h6-7,9-11,18H,5,8,12H2,1-4H3/b14-11+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol has a molecular weight of 260.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol is sourced from PubChem (CID 46173939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).