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

C18H18O — CID 11021314

IUPAC[(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene
SMILESC(=C/c1ccccc1)\COC/C=C/c1ccccc1
InChIInChI=1S/C18H18O/c1-3-9-17(10-4-1)13-7-15-19-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2/b13-7+,14-8+
InChIKeySXZQETPZXHHVOY-FNCQTZNRSA-N
MW250.34 g/mol
LogP4.43
Rot. Bonds6

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

[(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene (PubChem CID 11021314) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene
PubChem CID11021314
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name[(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene
SMILESC(=C/c1ccccc1)\COC/C=C/c1ccccc1
InChIInChI=1S/C18H18O/c1-3-9-17(10-4-1)13-7-15-19-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2/b13-7+,14-8+
InChIKeySXZQETPZXHHVOY-FNCQTZNRSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene (CID 11021314) is [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene is C(=C/c1ccccc1)\COC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene?
The InChIKey is SXZQETPZXHHVOY-FNCQTZNRSA-N. The full InChI is InChI=1S/C18H18O/c1-3-9-17(10-4-1)13-7-15-19-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2/b13-7+,14-8+.
What are the key properties of [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene?
[(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene has a molecular weight of 250.34 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene is sourced from PubChem (CID 11021314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).