[(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate

C23H30O5 — CID 102287210

IUPAC[(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate
SMILESCCC(=O)O[C@H](c1ccc(OC)cc1)[C@@H](OCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C23H30O5/c1-6-21(24)28-23(18-9-13-20(26-5)14-10-18)22(27-15-16(2)3)17-7-11-19(25-4)12-8-17/h7-14,16,22-23H,6,15H2,1-5H3/t22-,23+/m0/s1
InChIKeyDCIWWLRLQBMGIT-XZOQPEGZSA-N
MW386.49 g/mol
LogP5.11
Rot. Bonds10

About [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate

[(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate (PubChem CID 102287210) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate.

Molecular Properties

Compound Name[(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate
PubChem CID102287210
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name[(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate
SMILESCCC(=O)O[C@H](c1ccc(OC)cc1)[C@@H](OCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C23H30O5/c1-6-21(24)28-23(18-9-13-20(26-5)14-10-18)22(27-15-16(2)3)17-7-11-19(25-4)12-8-17/h7-14,16,22-23H,6,15H2,1-5H3/t22-,23+/m0/s1
InChIKeyDCIWWLRLQBMGIT-XZOQPEGZSA-N
XLogP5.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
CID 71726345
[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate
CID 145115575
1-[2-bromo-1-(2-methylpropoxy)ethyl]-4-methoxybenzene
CID 62112200
[2-iodo-1-(4-methoxyphenyl)propyl] acetate
CID 10947606
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate
CID 12060217
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate?
The IUPAC name of [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate (CID 102287210) is [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate.
What is the SMILES notation for [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate?
The canonical SMILES for [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate is CCC(=O)O[C@H](c1ccc(OC)cc1)[C@@H](OCC(C)C)c1ccc(OC)cc1.
What is the InChIKey of [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate?
The InChIKey is DCIWWLRLQBMGIT-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H30O5/c1-6-21(24)28-23(18-9-13-20(26-5)14-10-18)22(27-15-16(2)3)17-7-11-19(25-4)12-8-17/h7-14,16,22-23H,6,15H2,1-5H3/t22-,23+/m0/s1.
What are the key properties of [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate?
[(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate has a molecular weight of 386.49 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate is sourced from PubChem (CID 102287210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).