(1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane

C19H19FO2 — CID 135068537

IUPAC(1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane
SMILESCOc1ccc([C@@H]2[C@H]3COC[C@H]3[C@@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C19H19FO2/c1-21-15-7-5-12(6-8-15)18-16-10-22-11-17(16)19(18)13-3-2-4-14(20)9-13/h2-9,16-19H,10-11H2,1H3/t16-,17+,18+,19-/m0/s1
InChIKeyLHAMFLFYMKJYTM-MANSERQUSA-N
MW298.36 g/mol
LogP3.98
Rot. Bonds3

About (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane

(1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane (PubChem CID 135068537) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane
PubChem CID135068537
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name(1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane
SMILESCOc1ccc([C@@H]2[C@H]3COC[C@H]3[C@@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C19H19FO2/c1-21-15-7-5-12(6-8-15)18-16-10-22-11-17(16)19(18)13-3-2-4-14(20)9-13/h2-9,16-19H,10-11H2,1H3/t16-,17+,18+,19-/m0/s1
InChIKeyLHAMFLFYMKJYTM-MANSERQUSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane with MolForge

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Related Compounds

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CID 143278481
3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
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CID 43633962
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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane (CID 135068537) is (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane is COc1ccc([C@@H]2[C@H]3COC[C@H]3[C@@H]2c2cccc(F)c2)cc1.
What is the InChIKey of (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane?
The InChIKey is LHAMFLFYMKJYTM-MANSERQUSA-N. The full InChI is InChI=1S/C19H19FO2/c1-21-15-7-5-12(6-8-15)18-16-10-22-11-17(16)19(18)13-3-2-4-14(20)9-13/h2-9,16-19H,10-11H2,1H3/t16-,17+,18+,19-/m0/s1.
What are the key properties of (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane?
(1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane has a molecular weight of 298.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane is sourced from PubChem (CID 135068537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).