2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol

C22H30O2 — CID 162951163

IUPAC2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CC2=C(C)CCC[C@]2(C)C=CC=C(C)C)c1
InChIInChI=1S/C22H30O2/c1-16(2)8-6-12-22(4)13-7-9-17(3)20(22)15-18-14-19(24-5)10-11-21(18)23/h6,8,10-12,14,23H,7,9,13,15H2,1-5H3/t22-/m0/s1
InChIKeyNCAUXCIBEDUXEZ-QFIPXVFZSA-N
MW326.48 g/mol
LogP5.97
Rot. Bonds5

About 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol

2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol (PubChem CID 162951163) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol
PubChem CID162951163
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CC2=C(C)CCC[C@]2(C)C=CC=C(C)C)c1
InChIInChI=1S/C22H30O2/c1-16(2)8-6-12-22(4)13-7-9-17(3)20(22)15-18-14-19(24-5)10-11-21(18)23/h6,8,10-12,14,23H,7,9,13,15H2,1-5H3/t22-/m0/s1
InChIKeyNCAUXCIBEDUXEZ-QFIPXVFZSA-N
XLogP5.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol with MolForge

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Related Compounds

4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol
CID 86191248
1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene
CID 71582227
4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103923735
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
2-(ethenoxymethyl)-4-methoxyphenol
CID 45091276
2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
CID 103104516
2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol
CID 586140
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
4-methoxy-2-(1-phenylcyclopentyl)phenol
CID 68895977
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol
CID 28725691

Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol (CID 162951163) is 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol is COc1ccc(O)c(CC2=C(C)CCC[C@]2(C)C=CC=C(C)C)c1.
What is the InChIKey of 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol?
The InChIKey is NCAUXCIBEDUXEZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30O2/c1-16(2)8-6-12-22(4)13-7-9-17(3)20(22)15-18-14-19(24-5)10-11-21(18)23/h6,8,10-12,14,23H,7,9,13,15H2,1-5H3/t22-/m0/s1.
What are the key properties of 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol?
2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol has a molecular weight of 326.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-2,6-dimethyl-6-(4-methylpenta-1,3-dienyl)cyclohexen-1-yl]methyl]-4-methoxyphenol is sourced from PubChem (CID 162951163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).