2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol

C17H24O2 — CID 586140

IUPAC2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(CC=C(C)CCC=C(C)C)c1
InChIInChI=1S/C17H24O2/c1-13(2)6-5-7-14(3)8-9-15-12-16(19-4)10-11-17(15)18/h6,8,10-12,18H,5,7,9H2,1-4H3
InChIKeyMABMJUYMGMQGEA-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.64
Rot. Bonds6

About 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol

2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol (PubChem CID 586140) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol
PubChem CID586140
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(CC=C(C)CCC=C(C)C)c1
InChIInChI=1S/C17H24O2/c1-13(2)6-5-7-14(3)8-9-15-12-16(19-4)10-11-17(15)18/h6,8,10-12,18H,5,7,9H2,1-4H3
InChIKeyMABMJUYMGMQGEA-UHFFFAOYSA-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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Related Compounds

4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
[4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenyl] hydrogen sulfate
CID 10078671
sodium [3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-4-hydroxyphenyl] sulfate
CID 44593674
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxybenzaldehyde
CID 5365915
4-hydroxy-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzoic acid
CID 100
4-methoxy-5-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)benzene-1,3-diol
CID 72732382
ethyl 4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoate
CID 11394616
(2E,6E)-8-(2,5-dihydroxyphenyl)-2,6-dimethylocta-2,6-dienal
CID 11747343
[3,4-dihydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)phenyl] acetate
CID 162881002
2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-6-methoxybenzene-1,4-diol
CID 50986202
2-[(2Z,6E,10E,14E,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-6-methoxybenzene-1,4-diol
CID 53481383
3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]benzene-1,2-diol
CID 25244264

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol?
The IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol (CID 586140) is 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol.
What is the SMILES notation for 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol?
The canonical SMILES for 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol is COc1ccc(O)c(CC=C(C)CCC=C(C)C)c1.
What is the InChIKey of 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol?
The InChIKey is MABMJUYMGMQGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(2)6-5-7-14(3)8-9-15-12-16(19-4)10-11-17(15)18/h6,8,10-12,18H,5,7,9H2,1-4H3.
What are the key properties of 2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol?
2-(3,7-dimethylocta-2,6-dienyl)-4-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-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol is sourced from PubChem (CID 586140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).