2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol

C24H24O — CID 162361498

IUPAC2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol
SMILESC=C/C=C(C=C)/C=C/Cc1cccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C24H24O/c1-3-11-20(4-2)14-8-16-22-18-10-19-23(24(22)25)17-9-15-21-12-6-5-7-13-21/h3-15,18-19,25H,1-2,16-17H2/b14-8+,15-9+,20-11+
InChIKeyFUPQDXIOYZWSLQ-YFGLBZLWSA-N
MW328.46 g/mol
LogP6.05
Rot. Bonds8

About 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol

2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol (PubChem CID 162361498) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol
PubChem CID162361498
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Name2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol
SMILESC=C/C=C(C=C)/C=C/Cc1cccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C24H24O/c1-3-11-20(4-2)14-8-16-22-18-10-19-23(24(22)25)17-9-15-21-12-6-5-7-13-21/h3-15,18-19,25H,1-2,16-17H2/b14-8+,15-9+,20-11+
InChIKeyFUPQDXIOYZWSLQ-YFGLBZLWSA-N
XLogP6.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene
CID 155701401
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
CID 10923714
1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone
CID 138973706
1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
CID 142164883
ethane;(2E,4E)-4-ethenylhepta-2,4,6-trienal;3-methylbenzaldehyde;[(E)-prop-1-enyl]benzene
CID 143010091
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361461
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol (CID 162361498) is 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol is C=C/C=C(C=C)/C=C/Cc1cccc(C/C=C/c2ccccc2)c1O.
What is the InChIKey of 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol?
The InChIKey is FUPQDXIOYZWSLQ-YFGLBZLWSA-N. The full InChI is InChI=1S/C24H24O/c1-3-11-20(4-2)14-8-16-22-18-10-19-23(24(22)25)17-9-15-21-12-6-5-7-13-21/h3-15,18-19,25H,1-2,16-17H2/b14-8+,15-9+,20-11+.
What are the key properties of 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol?
2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol has a molecular weight of 328.46 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 162361498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).