(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid

C17H18O5 — CID 100542673

IUPAC(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1ccc(O[C@H](Cc2cccc(OC)c2)C(=O)O)cc1
InChIInChI=1S/C17H18O5/c1-20-13-6-8-14(9-7-13)22-16(17(18)19)11-12-4-3-5-15(10-12)21-2/h3-10,16H,11H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyRQROXIZQXLYOLZ-MRXNPFEDSA-N
MW302.33 g/mol
LogP2.78
Rot. Bonds7

About (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid

(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid (PubChem CID 100542673) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
PubChem CID100542673
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1ccc(O[C@H](Cc2cccc(OC)c2)C(=O)O)cc1
InChIInChI=1S/C17H18O5/c1-20-13-6-8-14(9-7-13)22-16(17(18)19)11-12-4-3-5-15(10-12)21-2/h3-10,16H,11H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyRQROXIZQXLYOLZ-MRXNPFEDSA-N
XLogP2.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
2-(3-methoxyphenoxy)-3-(3-nitrophenyl)propanoic acid
CID 133241275
3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
CID 133241017
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid (CID 100542673) is (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid is COc1ccc(O[C@H](Cc2cccc(OC)c2)C(=O)O)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is RQROXIZQXLYOLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-13-6-8-14(9-7-13)22-16(17(18)19)11-12-4-3-5-15(10-12)21-2/h3-10,16H,11H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid?
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 100542673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).