(2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane

C30H26F2O3 — CID 139093392

IUPAC(2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane
SMILESCOc1ccc([C@H]2O[C@H](c3ccc(OC)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C30H26F2O3/c1-33-25-15-7-21(8-16-25)29-27(19-3-11-23(31)12-4-19)28(20-5-13-24(32)14-6-20)30(35-29)22-9-17-26(34-2)18-10-22/h3-18,27-30H,1-2H3/t27-,28-,29+,30+/m0/s1
InChIKeyPNWAIHVTRBPHFH-VZNYXHRGSA-N
MW472.53 g/mol
LogP7.36
Rot. Bonds6

About (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane

(2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane (PubChem CID 139093392) has the molecular formula C30H26F2O3 and a molecular weight of 472.53 g/mol. Its IUPAC name is (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane.

Molecular Properties

Compound Name(2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane
PubChem CID139093392
Molecular FormulaC30H26F2O3
Molecular Weight472.53 g/mol
Exact Mass472.19
IUPAC Name(2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane
SMILESCOc1ccc([C@H]2O[C@H](c3ccc(OC)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C30H26F2O3/c1-33-25-15-7-21(8-16-25)29-27(19-3-11-23(31)12-4-19)28(20-5-13-24(32)14-6-20)30(35-29)22-9-17-26(34-2)18-10-22/h3-18,27-30H,1-2H3/t27-,28-,29+,30+/m0/s1
InChIKeyPNWAIHVTRBPHFH-VZNYXHRGSA-N
XLogP7.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane?
The IUPAC name of (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane (CID 139093392) is (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane.
What is the SMILES notation for (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane?
The canonical SMILES for (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane is COc1ccc([C@H]2O[C@H](c3ccc(OC)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane?
The InChIKey is PNWAIHVTRBPHFH-VZNYXHRGSA-N. The full InChI is InChI=1S/C30H26F2O3/c1-33-25-15-7-21(8-16-25)29-27(19-3-11-23(31)12-4-19)28(20-5-13-24(32)14-6-20)30(35-29)22-9-17-26(34-2)18-10-22/h3-18,27-30H,1-2H3/t27-,28-,29+,30+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane?
(2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane has a molecular weight of 472.53 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane is sourced from PubChem (CID 139093392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).