1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene

C23H20O — CID 144528376

IUPAC1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene
SMILESC=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20O/c1-19(22-10-6-3-7-11-22)12-13-20-14-16-23(17-15-20)24-18-21-8-4-2-5-9-21/h2-17H,1,18H2/b13-12+
InChIKeyITNGLEGXSFMJDZ-OUKQBFOZSA-N
MW312.41 g/mol
LogP5.99
Rot. Bonds6

About 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene

1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene (PubChem CID 144528376) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene
PubChem CID144528376
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene
SMILESC=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20O/c1-19(22-10-6-3-7-11-22)12-13-20-14-16-23(17-15-20)24-18-21-8-4-2-5-9-21/h2-17H,1,18H2/b13-12+
InChIKeyITNGLEGXSFMJDZ-OUKQBFOZSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 53405756
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
(1E,4Z,6E)-5-hydroxy-7-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)hepta-1,4,6-trien-3-one
CID 127027135
(E)-N-(diaminomethylidene)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 84549562
(E)-1-[2,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10578039
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008
(E)-N-hydroxy-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 14545026
4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene (CID 144528376) is 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene is C=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene?
The InChIKey is ITNGLEGXSFMJDZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H20O/c1-19(22-10-6-3-7-11-22)12-13-20-14-16-23(17-15-20)24-18-21-8-4-2-5-9-21/h2-17H,1,18H2/b13-12+.
What are the key properties of 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene?
1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene has a molecular weight of 312.41 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 144528376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).