(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane

C22H27FO4 — CID 15389968

IUPAC(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane
SMILESCC[C@H]1OC(OC)[C@H](OCc2cccc(C)c2)[C@H]1OCc1ccccc1F
InChIInChI=1S/C22H27FO4/c1-4-19-20(26-14-17-10-5-6-11-18(17)23)21(22(24-3)27-19)25-13-16-9-7-8-15(2)12-16/h5-12,19-22H,4,13-14H2,1-3H3/t19-,20+,21-,22?/m1/s1
InChIKeyFZHOJUGNVAJNPQ-NJDFBWEVSA-N
MW374.45 g/mol
LogP4.39
Rot. Bonds8

About (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane

(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane (PubChem CID 15389968) has the molecular formula C22H27FO4 and a molecular weight of 374.45 g/mol. Its IUPAC name is (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane.

Molecular Properties

Compound Name(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane
PubChem CID15389968
Molecular FormulaC22H27FO4
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane
SMILESCC[C@H]1OC(OC)[C@H](OCc2cccc(C)c2)[C@H]1OCc1ccccc1F
InChIInChI=1S/C22H27FO4/c1-4-19-20(26-14-17-10-5-6-11-18(17)23)21(22(24-3)27-19)25-13-16-9-7-8-15(2)12-16/h5-12,19-22H,4,13-14H2,1-3H3/t19-,20+,21-,22?/m1/s1
InChIKeyFZHOJUGNVAJNPQ-NJDFBWEVSA-N
XLogP4.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane
CID 15389967
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2R,3S,4R)-4-(1-benzothiophen-7-ylmethoxy)-2-ethyl-5-methoxy-3-phenylmethoxyoxolane
CID 139708213
2-[[(3R,4S,5R,6R)-3,4,5-tris[(3-methylphenyl)methoxy]-6-[(3-methylphenyl)methoxymethyl]oxan-2-yl]oxymethyl]benzoic acid
CID 10795037
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(4aS,6R,7S,7aR)-6-ethyl-7-[(2-fluorophenyl)methoxy]-2,3,4a,6,7,7a-hexahydrofuro[2,3-b][1,4]dioxine
CID 54459390
(3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 22825503
(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane?
The IUPAC name of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane (CID 15389968) is (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane.
What is the SMILES notation for (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane?
The canonical SMILES for (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane is CC[C@H]1OC(OC)[C@H](OCc2cccc(C)c2)[C@H]1OCc1ccccc1F.
What is the InChIKey of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane?
The InChIKey is FZHOJUGNVAJNPQ-NJDFBWEVSA-N. The full InChI is InChI=1S/C22H27FO4/c1-4-19-20(26-14-17-10-5-6-11-18(17)23)21(22(24-3)27-19)25-13-16-9-7-8-15(2)12-16/h5-12,19-22H,4,13-14H2,1-3H3/t19-,20+,21-,22?/m1/s1.
What are the key properties of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane?
(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane has a molecular weight of 374.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane is sourced from PubChem (CID 15389968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).