[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene

C21H24O — CID 56957260

IUPAC[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene
SMILESC(=C\CCc1ccccc1)\CCOC/C=C/c1ccccc1
InChIInChI=1S/C21H24O/c1(5-12-20-13-6-3-7-14-20)2-10-18-22-19-11-17-21-15-8-4-9-16-21/h1-4,6-9,11,13-17H,5,10,12,18-19H2/b2-1-,17-11+
InChIKeyBKAQWMWKAKJSBA-UHVQITDKSA-N
MW292.42 g/mol
LogP5.30
Rot. Bonds9

About [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene

[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene (PubChem CID 56957260) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene
PubChem CID56957260
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene
SMILESC(=C\CCc1ccccc1)\CCOC/C=C/c1ccccc1
InChIInChI=1S/C21H24O/c1(5-12-20-13-6-3-7-14-20)2-10-18-22-19-11-17-21-15-8-4-9-16-21/h1-4,6-9,11,13-17H,5,10,12,18-19H2/b2-1-,17-11+
InChIKeyBKAQWMWKAKJSBA-UHVQITDKSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-[(Z)-4-(2-phenylethylsulfanyl)but-3-enoxy]prop-1-enyl]benzene
CID 10543996
2-(4-phenylbut-3-enoxy)ethylbenzene
CID 175183681
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
[4-[2-(3-phenylprop-2-enoxy)ethyl]phenyl]phosphonic acid
CID 139910437
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
3-nonoxyprop-1-enylbenzene
CID 91487084
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene (CID 56957260) is [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene is C(=C\CCc1ccccc1)\CCOC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene?
The InChIKey is BKAQWMWKAKJSBA-UHVQITDKSA-N. The full InChI is InChI=1S/C21H24O/c1(5-12-20-13-6-3-7-14-20)2-10-18-22-19-11-17-21-15-8-4-9-16-21/h1-4,6-9,11,13-17H,5,10,12,18-19H2/b2-1-,17-11+.
What are the key properties of [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene?
[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene has a molecular weight of 292.42 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene is sourced from PubChem (CID 56957260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).