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

C22H27FO4 — CID 15389967

IUPAC(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane
SMILESCC[C@H]1OC(OC)[C@H](OCc2ccccc2C)[C@H]1OCc1ccccc1F
InChIInChI=1S/C22H27FO4/c1-4-19-20(25-14-17-11-7-8-12-18(17)23)21(22(24-3)27-19)26-13-16-10-6-5-9-15(16)2/h5-12,19-22H,4,13-14H2,1-3H3/t19-,20+,21-,22?/m1/s1
InChIKeyJWZXREKJTKHQTG-NJDFBWEVSA-N
MW374.45 g/mol
LogP4.39
Rot. Bonds8

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

(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane (PubChem CID 15389967) 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-[(2-methylphenyl)methoxy]oxolane.

Molecular Properties

Compound Name(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane
PubChem CID15389967
Molecular FormulaC22H27FO4
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane
SMILESCC[C@H]1OC(OC)[C@H](OCc2ccccc2C)[C@H]1OCc1ccccc1F
InChIInChI=1S/C22H27FO4/c1-4-19-20(25-14-17-11-7-8-12-18(17)23)21(22(24-3)27-19)26-13-16-10-6-5-9-15(16)2/h5-12,19-22H,4,13-14H2,1-3H3/t19-,20+,21-,22?/m1/s1
InChIKeyJWZXREKJTKHQTG-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

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

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Related Compounds

(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane
CID 15389968
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(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
(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
(2R,3S,4R)-4-(1-benzothiophen-7-ylmethoxy)-2-ethyl-5-methoxy-3-phenylmethoxyoxolane
CID 139708213
(3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol
CID 154202641
(1R,2S,4R,5R)-2-[(2-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930857
1-[(2-ethoxycyclopentyl)oxymethyl]-2-fluorobenzene
CID 21162814
(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
(2R,3S,3aS,9bR)-2-ethyl-9-methoxy-5-methyl-3-[(2-methylphenyl)methoxy]-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene
CID 56625680
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane?
The IUPAC name of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane (CID 15389967) is (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane.
What is the SMILES notation for (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane?
The canonical SMILES for (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane is CC[C@H]1OC(OC)[C@H](OCc2ccccc2C)[C@H]1OCc1ccccc1F.
What is the InChIKey of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane?
The InChIKey is JWZXREKJTKHQTG-NJDFBWEVSA-N. The full InChI is InChI=1S/C22H27FO4/c1-4-19-20(25-14-17-11-7-8-12-18(17)23)21(22(24-3)27-19)26-13-16-10-6-5-9-15(16)2/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-[(2-methylphenyl)methoxy]oxolane?
(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-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-[(2-methylphenyl)methoxy]oxolane is sourced from PubChem (CID 15389967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).