1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene

C28H30O4 — CID 101199839

IUPAC1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene
SMILESCCOC/C=C(/Oc1ccccc1O/C(=C/COCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30O4/c1-3-29-21-19-25(23-13-7-5-8-14-23)31-27-17-11-12-18-28(27)32-26(20-22-30-4-2)24-15-9-6-10-16-24/h5-20H,3-4,21-22H2,1-2H3/b25-19+,26-20+
InChIKeyMXYRLIMXYDCGQJ-FQHZWJPGSA-N
MW430.54 g/mol
LogP6.60
Rot. Bonds12

About 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene

1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene (PubChem CID 101199839) has the molecular formula C28H30O4 and a molecular weight of 430.54 g/mol. Its IUPAC name is 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene.

Molecular Properties

Compound Name1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene
PubChem CID101199839
Molecular FormulaC28H30O4
Molecular Weight430.54 g/mol
Exact Mass430.21
IUPAC Name1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene
SMILESCCOC/C=C(/Oc1ccccc1O/C(=C/COCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30O4/c1-3-29-21-19-25(23-13-7-5-8-14-23)31-27-17-11-12-18-28(27)32-26(20-22-30-4-2)24-15-9-6-10-16-24/h5-20H,3-4,21-22H2,1-2H3/b25-19+,26-20+
InChIKeyMXYRLIMXYDCGQJ-FQHZWJPGSA-N
XLogP6.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(1-phenylprop-1-enoxy)benzene
CID 70405108
(Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine
CID 67832078
[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene
CID 101356614
1-methoxybut-1-enylbenzene
CID 69305429
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid
CID 5371395
ethoxyethane;1-phenylethenylbenzene
CID 69353422
6-[(E)-3-ethoxy-1-phenylprop-1-enyl]-N,N-dimethylcyclohexen-1-amine
CID 101007897
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine
CID 67646972
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
[(1E)-1-ethoxybuta-1,3-dienyl]benzene
CID 10487466

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene?
The IUPAC name of 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene (CID 101199839) is 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene.
What is the SMILES notation for 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene?
The canonical SMILES for 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene is CCOC/C=C(/Oc1ccccc1O/C(=C/COCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene?
The InChIKey is MXYRLIMXYDCGQJ-FQHZWJPGSA-N. The full InChI is InChI=1S/C28H30O4/c1-3-29-21-19-25(23-13-7-5-8-14-23)31-27-17-11-12-18-28(27)32-26(20-22-30-4-2)24-15-9-6-10-16-24/h5-20H,3-4,21-22H2,1-2H3/b25-19+,26-20+.
What are the key properties of 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene?
1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene has a molecular weight of 430.54 g/mol, XLogP of 6.60, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene is sourced from PubChem (CID 101199839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).