(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane

C26H27FO4 — CID 68719586

IUPAC(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane
SMILESCOc1ccc(C(OC[C@H]2OCC[C@H]2F)(c2ccccc2)c2cccc(OC)c2)cc1
InChIInChI=1S/C26H27FO4/c1-28-22-13-11-20(12-14-22)26(19-7-4-3-5-8-19,21-9-6-10-23(17-21)29-2)31-18-25-24(27)15-16-30-25/h3-14,17,24-25H,15-16,18H2,1-2H3/t24-,25-,26?/m1/s1
InChIKeyLVMWYMGPSYAEFK-YFHSQZFMSA-N
MW422.50 g/mol
LogP5.14
Rot. Bonds8

About (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane

(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane (PubChem CID 68719586) has the molecular formula C26H27FO4 and a molecular weight of 422.50 g/mol. Its IUPAC name is (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane.

Molecular Properties

Compound Name(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane
PubChem CID68719586
Molecular FormulaC26H27FO4
Molecular Weight422.50 g/mol
Exact Mass422.19
IUPAC Name(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane
SMILESCOc1ccc(C(OC[C@H]2OCC[C@H]2F)(c2ccccc2)c2cccc(OC)c2)cc1
InChIInChI=1S/C26H27FO4/c1-28-22-13-11-20(12-14-22)26(19-7-4-3-5-8-19,21-9-6-10-23(17-21)29-2)31-18-25-24(27)15-16-30-25/h3-14,17,24-25H,15-16,18H2,1-2H3/t24-,25-,26?/m1/s1
InChIKeyLVMWYMGPSYAEFK-YFHSQZFMSA-N
XLogP5.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]pyrimidin-2-one
CID 122446943
2-(trityloxymethyl)oxane-3,4-diol
CID 85275479
CID 89240141
CID 89240141
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine
CID 168862216
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane?
The IUPAC name of (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane (CID 68719586) is (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane.
What is the SMILES notation for (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane?
The canonical SMILES for (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane is COc1ccc(C(OC[C@H]2OCC[C@H]2F)(c2ccccc2)c2cccc(OC)c2)cc1.
What is the InChIKey of (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane?
The InChIKey is LVMWYMGPSYAEFK-YFHSQZFMSA-N. The full InChI is InChI=1S/C26H27FO4/c1-28-22-13-11-20(12-14-22)26(19-7-4-3-5-8-19,21-9-6-10-23(17-21)29-2)31-18-25-24(27)15-16-30-25/h3-14,17,24-25H,15-16,18H2,1-2H3/t24-,25-,26?/m1/s1.
What are the key properties of (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane?
(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane has a molecular weight of 422.50 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane is sourced from PubChem (CID 68719586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).