1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene

C15H18O — CID 143659600

IUPAC1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
SMILESC/C=C\C=C(/C=C\C)Oc1ccc(C)cc1
InChIInChI=1S/C15H18O/c1-4-6-8-14(7-5-2)16-15-11-9-13(3)10-12-15/h4-12H,1-3H3/b6-4-,7-5-,14-8+
InChIKeyGBTMVFWJKUBERM-QAZGFIAXSA-N
MW214.31 g/mol
LogP4.41
Rot. Bonds4

About 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene

1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene (PubChem CID 143659600) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene.

Molecular Properties

Compound Name1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
PubChem CID143659600
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
SMILESC/C=C\C=C(/C=C\C)Oc1ccc(C)cc1
InChIInChI=1S/C15H18O/c1-4-6-8-14(7-5-2)16-15-11-9-13(3)10-12-15/h4-12H,1-3H3/b6-4-,7-5-,14-8+
InChIKeyGBTMVFWJKUBERM-QAZGFIAXSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene?
The IUPAC name of 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene (CID 143659600) is 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene.
What is the SMILES notation for 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene?
The canonical SMILES for 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene is C/C=C\C=C(/C=C\C)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene?
The InChIKey is GBTMVFWJKUBERM-QAZGFIAXSA-N. The full InChI is InChI=1S/C15H18O/c1-4-6-8-14(7-5-2)16-15-11-9-13(3)10-12-15/h4-12H,1-3H3/b6-4-,7-5-,14-8+.
What are the key properties of 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene?
1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene has a molecular weight of 214.31 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene is sourced from PubChem (CID 143659600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).