[(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate

C23H29FO5 — CID 137395509

IUPAC[(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate
SMILESCOc1ccc(COC(C)[C@H](OC(=O)C(C)(C)C)c2ccc(F)cc2OC)cc1
InChIInChI=1S/C23H29FO5/c1-15(28-14-16-7-10-18(26-5)11-8-16)21(29-22(25)23(2,3)4)19-12-9-17(24)13-20(19)27-6/h7-13,15,21H,14H2,1-6H3/t15?,21-/m0/s1
InChIKeyGFLDYFMLLWCWII-FXMQYSIJSA-N
MW404.48 g/mol
LogP5.08
Rot. Bonds8

About [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate

[(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate (PubChem CID 137395509) has the molecular formula C23H29FO5 and a molecular weight of 404.48 g/mol. Its IUPAC name is [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate
PubChem CID137395509
Molecular FormulaC23H29FO5
Molecular Weight404.48 g/mol
Exact Mass404.20
IUPAC Name[(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate
SMILESCOc1ccc(COC(C)[C@H](OC(=O)C(C)(C)C)c2ccc(F)cc2OC)cc1
InChIInChI=1S/C23H29FO5/c1-15(28-14-16-7-10-18(26-5)11-8-16)21(29-22(25)23(2,3)4)19-12-9-17(24)13-20(19)27-6/h7-13,15,21H,14H2,1-6H3/t15?,21-/m0/s1
InChIKeyGFLDYFMLLWCWII-FXMQYSIJSA-N
XLogP5.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446390
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
[(2R)-2-[(4-methoxyphenyl)methoxy]-4-oxobutyl] 2,2-dimethylpropanoate
CID 11077714
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 107700785
(2-tert-butyl-4-methoxyphenyl) 3-(4-fluorophenyl)propanoate
CID 135369086
(4R,6R,7R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-7-phenylmethoxyoctan-2-one
CID 139249750
(3S,4R)-4-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 134243279
[(2S,3R)-4-ethyl-3-(4-fluoro-2-methoxyphenyl)hexan-2-yl] (2S)-2-aminopropanoate
CID 135195236
[(5S,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-5-[(4-methoxyphenyl)methoxy]-8-methyldeca-3,6-dienyl] 2,2-dimethylpropanoate
CID 91532861
1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one
CID 130773650
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
CID 156645255

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate?
The IUPAC name of [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate (CID 137395509) is [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate is COc1ccc(COC(C)[C@H](OC(=O)C(C)(C)C)c2ccc(F)cc2OC)cc1.
What is the InChIKey of [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate?
The InChIKey is GFLDYFMLLWCWII-FXMQYSIJSA-N. The full InChI is InChI=1S/C23H29FO5/c1-15(28-14-16-7-10-18(26-5)11-8-16)21(29-22(25)23(2,3)4)19-12-9-17(24)13-20(19)27-6/h7-13,15,21H,14H2,1-6H3/t15?,21-/m0/s1.
What are the key properties of [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate?
[(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate has a molecular weight of 404.48 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluoro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]propyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 137395509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).