[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene

C22H26O2 — CID 15531171

IUPAC[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
SMILESC(=C/c1ccccc1)\COCCCCOC/C=C/c1ccccc1
InChIInChI=1S/C22H26O2/c1-3-11-21(12-4-1)15-9-19-23-17-7-8-18-24-20-10-16-22-13-5-2-6-14-22/h1-6,9-16H,7-8,17-20H2/b15-9+,16-10+
InChIKeyZETBQDBWVDIRHI-KAVGSWPWSA-N
MW322.45 g/mol
LogP5.23
Rot. Bonds11

About [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene

[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene (PubChem CID 15531171) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
PubChem CID15531171
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
SMILESC(=C/c1ccccc1)\COCCCCOC/C=C/c1ccccc1
InChIInChI=1S/C22H26O2/c1-3-11-21(12-4-1)15-9-19-23-17-7-8-18-24-20-10-16-22-13-5-2-6-14-22/h1-6,9-16H,7-8,17-20H2/b15-9+,16-10+
InChIKeyZETBQDBWVDIRHI-KAVGSWPWSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-nonoxyprop-1-enylbenzene
CID 91487084
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765
3-henicosoxyprop-1-enylbenzene
CID 139660432
N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene
CID 56957260

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene (CID 15531171) is [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene is C(=C/c1ccccc1)\COCCCCOC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene?
The InChIKey is ZETBQDBWVDIRHI-KAVGSWPWSA-N. The full InChI is InChI=1S/C22H26O2/c1-3-11-21(12-4-1)15-9-19-23-17-7-8-18-24-20-10-16-22-13-5-2-6-14-22/h1-6,9-16H,7-8,17-20H2/b15-9+,16-10+.
What are the key properties of [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene?
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene has a molecular weight of 322.45 g/mol, XLogP of 5.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene is sourced from PubChem (CID 15531171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).