4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol

C16H18O — CID 143204577

IUPAC4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol
SMILESC=C(/C=C\C)C/C=C/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H18O/c1-3-7-14(2)8-5-4-6-9-15-10-12-16(17)13-11-15/h3-7,9-13,17H,2,8H2,1H3/b5-4+,7-3-,9-6+
InChIKeyUDWNHZWXBHIPRZ-JRTWIHGQSA-N
MW226.32 g/mol
LogP4.48
Rot. Bonds5

About 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol

4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol (PubChem CID 143204577) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol.

Molecular Properties

Compound Name4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol
PubChem CID143204577
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol
SMILESC=C(/C=C\C)C/C=C/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H18O/c1-3-7-14(2)8-5-4-6-9-15-10-12-16(17)13-11-15/h3-7,9-13,17H,2,8H2,1H3/b5-4+,7-3-,9-6+
InChIKeyUDWNHZWXBHIPRZ-JRTWIHGQSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol?
The IUPAC name of 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol (CID 143204577) is 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol.
What is the SMILES notation for 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol?
The canonical SMILES for 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol is C=C(/C=C\C)C/C=C/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol?
The InChIKey is UDWNHZWXBHIPRZ-JRTWIHGQSA-N. The full InChI is InChI=1S/C16H18O/c1-3-7-14(2)8-5-4-6-9-15-10-12-16(17)13-11-15/h3-7,9-13,17H,2,8H2,1H3/b5-4+,7-3-,9-6+.
What are the key properties of 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol?
4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol has a molecular weight of 226.32 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E,7Z)-6-methylidenenona-1,3,7-trienyl]phenol is sourced from PubChem (CID 143204577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).