(2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid

C18H20O4 — CID 100546975

IUPAC(2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid
SMILESCOc1ccc(C)cc1C[C@@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C18H20O4/c1-13-8-9-16(21-2)15(10-13)11-17(18(19)20)22-12-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyXYDKJFOEHMRLQJ-QGZVFWFLSA-N
MW300.35 g/mol
LogP3.22
Rot. Bonds7

About (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid

(2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid (PubChem CID 100546975) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid
PubChem CID100546975
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid
SMILESCOc1ccc(C)cc1C[C@@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C18H20O4/c1-13-8-9-16(21-2)15(10-13)11-17(18(19)20)22-12-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyXYDKJFOEHMRLQJ-QGZVFWFLSA-N
XLogP3.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(2,5-dimethoxyphenyl)-2-phenylmethoxypropanoic acid
CID 100546415
(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546885
(2S)-3-(2,4-dimethylphenyl)-2-phenylmethoxypropanoic acid
CID 100527106
(2S)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546925
(2R)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546917
(2S)-2-(3,5-dimethylphenoxy)-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546610
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
4-amino-2-[(2-methoxy-5-methylphenyl)methyl]butanoic acid
CID 104681023
2-phenylmethoxybutanoic acid
CID 11816388
1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
CID 69346055
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-phenylpropan-2-amine
CID 62160348
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid?
The IUPAC name of (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid (CID 100546975) is (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid.
What is the SMILES notation for (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid?
The canonical SMILES for (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid is COc1ccc(C)cc1C[C@@H](OCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid?
The InChIKey is XYDKJFOEHMRLQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20O4/c1-13-8-9-16(21-2)15(10-13)11-17(18(19)20)22-12-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid?
(2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid is sourced from PubChem (CID 100546975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).