4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol

C19H24O3 — CID 129299289

IUPAC4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol
SMILESC=C/C(=C\C=C(\O)C=C)CCCOCCc1ccc(O)cc1
InChIInChI=1S/C19H24O3/c1-3-16(7-10-18(20)4-2)6-5-14-22-15-13-17-8-11-19(21)12-9-17/h3-4,7-12,20-21H,1-2,5-6,13-15H2/b16-7+,18-10+
InChIKeyCAZLUEAFTRAFMT-NNLURMBGSA-N
MW300.40 g/mol
LogP4.47
Rot. Bonds10

About 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol

4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol (PubChem CID 129299289) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol
PubChem CID129299289
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol
SMILESC=C/C(=C\C=C(\O)C=C)CCCOCCc1ccc(O)cc1
InChIInChI=1S/C19H24O3/c1-3-16(7-10-18(20)4-2)6-5-14-22-15-13-17-8-11-19(21)12-9-17/h3-4,7-12,20-21H,1-2,5-6,13-15H2/b16-7+,18-10+
InChIKeyCAZLUEAFTRAFMT-NNLURMBGSA-N
XLogP4.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pentoxyethyl)phenol
CID 67806399
4-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]ethyl]phenol
CID 145162117
3-(2-phenylethoxy)propyl prop-2-enoate
CID 141394105
4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
CID 174549086
2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid
CID 20722155
4-(5-propoxypentyl)phenol
CID 175182886
3-[4-(2-phenylethoxy)butanoylamino]butanoic acid
CID 119220650
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
CID 66863409
N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893909
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol?
The IUPAC name of 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol (CID 129299289) is 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol.
What is the SMILES notation for 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol?
The canonical SMILES for 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol is C=C/C(=C\C=C(\O)C=C)CCCOCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol?
The InChIKey is CAZLUEAFTRAFMT-NNLURMBGSA-N. The full InChI is InChI=1S/C19H24O3/c1-3-16(7-10-18(20)4-2)6-5-14-22-15-13-17-8-11-19(21)12-9-17/h3-4,7-12,20-21H,1-2,5-6,13-15H2/b16-7+,18-10+.
What are the key properties of 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol?
4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol has a molecular weight of 300.40 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4Z,6E)-4-ethenyl-7-hydroxynona-4,6,8-trienoxy]ethyl]phenol is sourced from PubChem (CID 129299289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).