2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid

C14H20O3 — CID 82291650

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)cc(C(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C14H20O3/c1-8-7-11(14(4,5)13(15)16)9(2)10(3)12(8)17-6/h7H,1-6H3,(H,15,16)
InChIKeyDASIGRTWVSLHDX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid

2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid (PubChem CID 82291650) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
PubChem CID82291650
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)cc(C(C)(C)C(=O)O)c(C)c1C
InChIInChI=1S/C14H20O3/c1-8-7-11(14(4,5)13(15)16)9(2)10(3)12(8)17-6/h7H,1-6H3,(H,15,16)
InChIKeyDASIGRTWVSLHDX-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
CID 82290788
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 82293509
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
CID 82286744
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587
2-(4-methoxy-2,3,5-trimethylphenyl)-2-oxoacetic acid
CID 82286864
4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
CID 116926839
methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
CID 144982422
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid (CID 82291650) is 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid is COc1c(C)cc(C(C)(C)C(=O)O)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid?
The InChIKey is DASIGRTWVSLHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-7-11(14(4,5)13(15)16)9(2)10(3)12(8)17-6/h7H,1-6H3,(H,15,16).
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid?
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 82291650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).