1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene

C16H15FO — CID 11579619

IUPAC1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
SMILESFc1ccc(/C=C/COCc2ccccc2)cc1
InChIInChI=1S/C16H15FO/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-11H,12-13H2/b7-4+
InChIKeyVUPFQNCXLYWHMA-QPJJXVBHSA-N
MW242.29 g/mol
LogP4.06
Rot. Bonds5

About 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene

1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene (PubChem CID 11579619) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
PubChem CID11579619
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
SMILESFc1ccc(/C=C/COCc2ccccc2)cc1
InChIInChI=1S/C16H15FO/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-11H,12-13H2/b7-4+
InChIKeyVUPFQNCXLYWHMA-QPJJXVBHSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.06
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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Related Compounds

1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene
CID 77070500
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline
CID 76946670
(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol
CID 56946569
1-nitro-4-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 10858524
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
3-phenylmethoxyprop-1-enylboronic acid
CID 71358172
5-fluoro-2-(3-phenylprop-2-enoxymethyl)benzoic acid
CID 76994576
2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
CID 73182651

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene (CID 11579619) is 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene is Fc1ccc(/C=C/COCc2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene?
The InChIKey is VUPFQNCXLYWHMA-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H15FO/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-11H,12-13H2/b7-4+.
What are the key properties of 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene?
1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene has a molecular weight of 242.29 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene is sourced from PubChem (CID 11579619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).