1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone

C18H18O2 — CID 11230907

IUPAC1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/COCc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-15(19)18-11-9-16(10-12-18)8-5-13-20-14-17-6-3-2-4-7-17/h2-12H,13-14H2,1H3/b8-5+
InChIKeyUPTPVSHYQAZAAT-VMPITWQZSA-N
MW266.34 g/mol
LogP4.12
Rot. Bonds6

About 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone

1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone (PubChem CID 11230907) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
PubChem CID11230907
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/COCc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-15(19)18-11-9-16(10-12-18)8-5-13-20-14-17-6-3-2-4-7-17/h2-12H,13-14H2,1H3/b8-5+
InChIKeyUPTPVSHYQAZAAT-VMPITWQZSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.12
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

1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
methyl 3-[(E)-3-phenylmethoxyprop-1-enyl]benzoate
CID 125468649
1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
CID 11579619
benzyl (E)-3-(4-acetylphenyl)prop-2-enoate
CID 132608073
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene
CID 77070500
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
CID 73182651
benzyl 4-acetylbenzoate
CID 590101

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone (CID 11230907) is 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone is CC(=O)c1ccc(/C=C/COCc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone?
The InChIKey is UPTPVSHYQAZAAT-VMPITWQZSA-N. The full InChI is InChI=1S/C18H18O2/c1-15(19)18-11-9-16(10-12-18)8-5-13-20-14-17-6-3-2-4-7-17/h2-12H,13-14H2,1H3/b8-5+.
What are the key properties of 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone?
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone is sourced from PubChem (CID 11230907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).