3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid

C14H20O3 — CID 82291639

IUPAC3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1cc(C)c(CC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C14H20O3/c1-9-7-12(17-5)10(2)6-11(9)8-14(3,4)13(15)16/h6-7H,8H2,1-5H3,(H,15,16)
InChIKeyXXANUJONCHCLIX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid

3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid (PubChem CID 82291639) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
PubChem CID82291639
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1cc(C)c(CC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C14H20O3/c1-9-7-12(17-5)10(2)6-11(9)8-14(3,4)13(15)16/h6-7H,8H2,1-5H3,(H,15,16)
InChIKeyXXANUJONCHCLIX-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 116838235
3,3-difluoro-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 116839856
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
5-(2-carboxy-2-methylpropyl)-2,4-dimethylbenzoic acid
CID 117379062
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117348985
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117462443
3-(3-chloro-4,5-dimethoxy-2-methylphenyl)-2,2-dimethylpropanoic acid
CID 117462457
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117439274
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-dimethylpropanoic acid
CID 117472164
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2,2-dimethylpropanoic acid
CID 117438009
3-(2-fluoro-5-methoxy-3-methylphenyl)-2,2-dimethylpropanoic acid
CID 117353387

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid (CID 82291639) is 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid is COc1cc(C)c(CC(C)(C)C(=O)O)cc1C.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is XXANUJONCHCLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9-7-12(17-5)10(2)6-11(9)8-14(3,4)13(15)16/h6-7H,8H2,1-5H3,(H,15,16).
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid?
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 82291639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).