1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene

C16H15FO2 — CID 155933930

IUPAC1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene
SMILESC=C[C@@H](OCc1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C16H15FO2/c1-2-16(18-12-13-6-4-3-5-7-13)19-15-10-8-14(17)9-11-15/h2-11,16H,1,12H2/t16-/m0/s1
InChIKeyJGPFWABSBLLMJZ-INIZCTEOSA-N
MW258.29 g/mol
LogP3.93
Rot. Bonds6

About 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene

1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene (PubChem CID 155933930) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene
PubChem CID155933930
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene
SMILESC=C[C@@H](OCc1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C16H15FO2/c1-2-16(18-12-13-6-4-3-5-7-13)19-15-10-8-14(17)9-11-15/h2-11,16H,1,12H2/t16-/m0/s1
InChIKeyJGPFWABSBLLMJZ-INIZCTEOSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
CID 46944297
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
CID 129387965
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
1-chloroprop-2-enoxymethylbenzene
CID 175273540
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
1-hex-1-ynyl-2-(1-phenylmethoxyprop-2-enoxy)benzene
CID 139991143
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
CID 46915682
[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
CID 14220581

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene?
The IUPAC name of 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene (CID 155933930) is 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene?
The canonical SMILES for 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene is C=C[C@@H](OCc1ccccc1)Oc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene?
The InChIKey is JGPFWABSBLLMJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15FO2/c1-2-16(18-12-13-6-4-3-5-7-13)19-15-10-8-14(17)9-11-15/h2-11,16H,1,12H2/t16-/m0/s1.
What are the key properties of 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene?
1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene has a molecular weight of 258.29 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene is sourced from PubChem (CID 155933930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).