(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid

C14H20O5 — CID 100545736

IUPAC(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
SMILESCOc1ccc(C[C@@H](OC(C)C)C(=O)O)c(OC)c1
InChIInChI=1S/C14H20O5/c1-9(2)19-13(14(15)16)7-10-5-6-11(17-3)8-12(10)18-4/h5-6,8-9,13H,7H2,1-4H3,(H,15,16)/t13-/m1/s1
InChIKeyXEFFUTXPNXUOAS-CYBMUJFWSA-N
MW268.31 g/mol
LogP2.12
Rot. Bonds7

About (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid

(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid (PubChem CID 100545736) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
PubChem CID100545736
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
SMILESCOc1ccc(C[C@@H](OC(C)C)C(=O)O)c(OC)c1
InChIInChI=1S/C14H20O5/c1-9(2)19-13(14(15)16)7-10-5-6-11(17-3)8-12(10)18-4/h5-6,8-9,13H,7H2,1-4H3,(H,15,16)/t13-/m1/s1
InChIKeyXEFFUTXPNXUOAS-CYBMUJFWSA-N
XLogP2.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(2,5-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100546355
3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
CID 133241144
2-butoxy-3-(2,4-dimethoxyphenyl)propanoic acid
CID 133241148
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
(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-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329
(2S)-3-(2,4-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100545560
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid?
The IUPAC name of (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid (CID 100545736) is (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid.
What is the SMILES notation for (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid?
The canonical SMILES for (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid is COc1ccc(C[C@@H](OC(C)C)C(=O)O)c(OC)c1.
What is the InChIKey of (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid?
The InChIKey is XEFFUTXPNXUOAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20O5/c1-9(2)19-13(14(15)16)7-10-5-6-11(17-3)8-12(10)18-4/h5-6,8-9,13H,7H2,1-4H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid?
(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid is sourced from PubChem (CID 100545736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).