(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid

C18H20O4 — CID 100542546

IUPAC(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)c1
InChIInChI=1S/C18H20O4/c1-12-7-13(2)9-16(8-12)22-17(18(19)20)11-14-5-4-6-15(10-14)21-3/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyQXYXTHRYDRRWQG-QGZVFWFLSA-N
MW300.35 g/mol
LogP3.39
Rot. Bonds6

About (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid

(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid (PubChem CID 100542546) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
PubChem CID100542546
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)c1
InChIInChI=1S/C18H20O4/c1-12-7-13(2)9-16(8-12)22-17(18(19)20)11-14-5-4-6-15(10-14)21-3/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyQXYXTHRYDRRWQG-QGZVFWFLSA-N
XLogP3.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
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-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133241237
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541174
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid (CID 100542546) is (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid is COc1cccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is QXYXTHRYDRRWQG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20O4/c1-12-7-13(2)9-16(8-12)22-17(18(19)20)11-14-5-4-6-15(10-14)21-3/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid?
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 100542546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).