1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone

C18H18O2 — CID 11346154

IUPAC1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C/C=C\OCc2ccccc2)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/h2-7,9-13H,8,14H2,1H3/b13-5-
InChIKeyGONRMDZMFRVRRF-ACAGNQJTSA-N
MW266.34 g/mol
LogP4.16
Rot. Bonds6

About 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone

1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone (PubChem CID 11346154) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone
PubChem CID11346154
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C/C=C\OCc2ccccc2)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/h2-7,9-13H,8,14H2,1H3/b13-5-
InChIKeyGONRMDZMFRVRRF-ACAGNQJTSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
[(E)-3-phenylprop-1-enyl] acetate
CID 13396779
benzyl 4-acetylbenzoate
CID 590101
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene
CID 11346163
benzyl (E)-3-(4-acetylphenyl)prop-2-enoate
CID 132608073

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone (CID 11346154) is 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone is CC(=O)c1ccc(C/C=C\OCc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone?
The InChIKey is GONRMDZMFRVRRF-ACAGNQJTSA-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/h2-7,9-13H,8,14H2,1H3/b13-5-.
What are the key properties of 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone?
1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone is sourced from PubChem (CID 11346154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).