1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene

C16H15FO — CID 46944297

IUPAC1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
SMILESC=CC(OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FO/c1-2-16(14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h2-11,16H,1,12H2
InChIKeyPQUTXMBLGOWIGM-UHFFFAOYSA-N
MW242.29 g/mol
LogP4.27
Rot. Bonds5

About 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene

1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene (PubChem CID 46944297) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
PubChem CID46944297
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
SMILESC=CC(OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FO/c1-2-16(14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h2-11,16H,1,12H2
InChIKeyPQUTXMBLGOWIGM-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene
CID 155933930
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
1-chloroprop-2-enoxymethylbenzene
CID 175273540
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
2-(1-phenylmethoxyprop-2-enyl)furan
CID 46944298
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol
CID 15856347
1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene
CID 134992008
1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
CID 129387965
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene?
The IUPAC name of 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene (CID 46944297) is 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene.
What is the SMILES notation for 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene?
The canonical SMILES for 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene is C=CC(OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene?
The InChIKey is PQUTXMBLGOWIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-2-16(14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h2-11,16H,1,12H2.
What are the key properties of 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene?
1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene has a molecular weight of 242.29 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene is sourced from PubChem (CID 46944297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).