(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid

C20H24O3 — CID 100531124

IUPAC(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCc1ccc(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)O)cc1C
InChIInChI=1S/C20H24O3/c1-13(2)17-8-6-16(7-9-17)12-19(20(21)22)23-18-10-5-14(3)15(4)11-18/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyDQSPFUIXVRYZNK-LJQANCHMSA-N
MW312.41 g/mol
LogP4.50
Rot. Bonds6

About (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid

(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 100531124) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
PubChem CID100531124
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCc1ccc(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)O)cc1C
InChIInChI=1S/C20H24O3/c1-13(2)17-8-6-16(7-9-17)12-19(20(21)22)23-18-10-5-14(3)15(4)11-18/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyDQSPFUIXVRYZNK-LJQANCHMSA-N
XLogP4.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528641
(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid
CID 100532922
(2S)-2-(3,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100530945
(2S)-2-(3,4-dimethylphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544971
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369
(2S)-3-(3,4-dimethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100528680
(2S)-3-(4-propan-2-ylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100531094
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
(2S)-2-(3,4-dimethylphenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100528037
(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanoic acid
CID 100547805
2-(3,4-dimethylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112518821
3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
CID 133245547

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid (CID 100531124) is (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid is Cc1ccc(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)O)cc1C.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is DQSPFUIXVRYZNK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24O3/c1-13(2)17-8-6-16(7-9-17)12-19(20(21)22)23-18-10-5-14(3)15(4)11-18/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid?
(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 100531124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).