2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol

C15H18O2 — CID 169209301

IUPAC2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol
SMILESC=C/C(C)=C\C=C(/C)Oc1ccc(O)c(C)c1
InChIInChI=1S/C15H18O2/c1-5-11(2)6-7-13(4)17-14-8-9-15(16)12(3)10-14/h5-10,16H,1H2,2-4H3/b11-6-,13-7+
InChIKeyXJEDQMTYVVFYAY-LPBBVNJDSA-N
MW230.31 g/mol
LogP4.12
Rot. Bonds4

About 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol

2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol (PubChem CID 169209301) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol.

Molecular Properties

Compound Name2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol
PubChem CID169209301
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol
SMILESC=C/C(C)=C\C=C(/C)Oc1ccc(O)c(C)c1
InChIInChI=1S/C15H18O2/c1-5-11(2)6-7-13(4)17-14-8-9-15(16)12(3)10-14/h5-10,16H,1H2,2-4H3/b11-6-,13-7+
InChIKeyXJEDQMTYVVFYAY-LPBBVNJDSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
CID 167001306
bis(1-(2,2-dimethylcyclopropyl)ethanone);1,2-dimethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxybenzene;ethane
CID 142037298
N-methylacetamide;4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxypyridine
CID 142867351
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxybenzene
CID 167286021
ethane;ethene;1-methyl-4-[(2E)-penta-2,4-dien-2-yl]oxybenzene
CID 177026748
(4-hydroxy-3-methylphenyl) 6-acetyloxynaphthalene-2-carboxylate
CID 143504354
1-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-yl]-4-methylbenzene
CID 169209291
2-methyl-4-phenoxyphenol
CID 23089676
1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
CID 143190699
1,2-dimethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]benzene;ethane
CID 177145021
(4-ethenyl-3-hydroxyphenyl) acetate
CID 130034523
(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate
CID 66793522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol?
The IUPAC name of 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol (CID 169209301) is 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol.
What is the SMILES notation for 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol?
The canonical SMILES for 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol is C=C/C(C)=C\C=C(/C)Oc1ccc(O)c(C)c1.
What is the InChIKey of 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol?
The InChIKey is XJEDQMTYVVFYAY-LPBBVNJDSA-N. The full InChI is InChI=1S/C15H18O2/c1-5-11(2)6-7-13(4)17-14-8-9-15(16)12(3)10-14/h5-10,16H,1H2,2-4H3/b11-6-,13-7+.
What are the key properties of 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol?
2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol has a molecular weight of 230.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol is sourced from PubChem (CID 169209301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).