1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene

C17H17FO — CID 101020501

IUPAC1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene
SMILESCCOC/C(F)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17FO/c1-2-19-13-17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3/b17-12-
InChIKeyIMMHOWQNTGUILD-ATVHPVEESA-N
MW256.32 g/mol
LogP4.70
Rot. Bonds5

About 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene

1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene (PubChem CID 101020501) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene
PubChem CID101020501
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene
SMILESCCOC/C(F)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17FO/c1-2-19-13-17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3/b17-12-
InChIKeyIMMHOWQNTGUILD-ATVHPVEESA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-Methyl-6-(p-tolyl)hept-2-en-1-yl acetate
CID 91710637
Dicinnamyl ether
CID 54330493
(2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol
CID 122186591
(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol
CID 122186592
2-Propenoic acid, 3-(4-phenylphenyl)-, ethyl ester
CID 5377298
2-[(E)-3-ethoxy-2-fluoroprop-1-enyl]naphthalene
CID 134907612
1-[(E)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene
CID 134907901
1-(2-Fluoro-2-methylpropyl)-4-phenylbenzene
CID 118426459
methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate
CID 155664668
ethyl (E)-3-(4-methylphenyl)-3-phenylprop-2-enoate
CID 10468132
Cinnarizine Impurity 6
CID 11021314
Ethyl alpha-fluoro-4-phenyl-cinnamate
CID 5377869

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene?
The IUPAC name of 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene (CID 101020501) is 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene?
The canonical SMILES for 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene is CCOC/C(F)=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene?
The InChIKey is IMMHOWQNTGUILD-ATVHPVEESA-N. The full InChI is InChI=1S/C17H17FO/c1-2-19-13-17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3/b17-12-.
What are the key properties of 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene?
1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene has a molecular weight of 256.32 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene is sourced from PubChem (CID 101020501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).