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

C16H24O3 — CID 116926839

IUPAC4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
SMILESCOc1c(C)cc(CC(C)(C)CC(=O)O)c(C)c1C
InChIInChI=1S/C16H24O3/c1-10-7-13(8-16(4,5)9-14(17)18)11(2)12(3)15(10)19-6/h7H,8-9H2,1-6H3,(H,17,18)
InChIKeyNXDFPUWKGCQMHJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.66
Rot. Bonds5

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

4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid (PubChem CID 116926839) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
PubChem CID116926839
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
SMILESCOc1c(C)cc(CC(C)(C)CC(=O)O)c(C)c1C
InChIInChI=1S/C16H24O3/c1-10-7-13(8-16(4,5)9-14(17)18)11(2)12(3)15(10)19-6/h7H,8-9H2,1-6H3,(H,17,18)
InChIKeyNXDFPUWKGCQMHJ-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
CID 115171275
3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 116926827
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917
3-(4-methoxy-N,3,5-trimethylanilino)-3-methylbutanoic acid
CID 117042389
3-(3-bromo-4-methoxy-5-methylphenyl)-3-methylbutanoic acid
CID 117485174
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid (CID 116926839) is 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid is COc1c(C)cc(CC(C)(C)CC(=O)O)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid?
The InChIKey is NXDFPUWKGCQMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10-7-13(8-16(4,5)9-14(17)18)11(2)12(3)15(10)19-6/h7H,8-9H2,1-6H3,(H,17,18).
What are the key properties of 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid?
4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 116926839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).