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

C18H19FO2 — CID 129387965

IUPAC1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
SMILESC=CC[C@@H](COc1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C18H19FO2/c1-2-6-18(20-13-15-7-4-3-5-8-15)14-21-17-11-9-16(19)10-12-17/h2-5,7-12,18H,1,6,13-14H2/t18-/m0/s1
InChIKeyJFSQBTQZRPEUPX-SFHVURJKSA-N
MW286.35 g/mol
LogP4.37
Rot. Bonds8

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

1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene (PubChem CID 129387965) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
PubChem CID129387965
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
SMILESC=CC[C@@H](COc1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C18H19FO2/c1-2-6-18(20-13-15-7-4-3-5-8-15)14-21-17-11-9-16(19)10-12-17/h2-5,7-12,18H,1,6,13-14H2/t18-/m0/s1
InChIKeyJFSQBTQZRPEUPX-SFHVURJKSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
CID 21317630
1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene
CID 155933930
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
CID 46944297
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol
CID 15856347
1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 10944951
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
CID 144540879

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene?
The IUPAC name of 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene (CID 129387965) is 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene?
The canonical SMILES for 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene is C=CC[C@@H](COc1ccc(F)cc1)OCc1ccccc1.
What is the InChIKey of 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene?
The InChIKey is JFSQBTQZRPEUPX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19FO2/c1-2-6-18(20-13-15-7-4-3-5-8-15)14-21-17-11-9-16(19)10-12-17/h2-5,7-12,18H,1,6,13-14H2/t18-/m0/s1.
What are the key properties of 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene?
1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene has a molecular weight of 286.35 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene is sourced from PubChem (CID 129387965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).