4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid

C16H24O3 — CID 116926751

IUPAC4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCOc1cc(C)c(CC(C)CC(=O)O)cc1C(C)C
InChIInChI=1S/C16H24O3/c1-10(2)14-9-13(6-11(3)7-16(17)18)12(4)8-15(14)19-5/h8-11H,6-7H2,1-5H3,(H,17,18)
InChIKeyXTFYVDCZSSIJTE-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.78
Rot. Bonds6

About 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid

4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid (PubChem CID 116926751) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
PubChem CID116926751
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCOc1cc(C)c(CC(C)CC(=O)O)cc1C(C)C
InChIInChI=1S/C16H24O3/c1-10(2)14-9-13(6-11(3)7-16(17)18)12(4)8-15(14)19-5/h8-11H,6-7H2,1-5H3,(H,17,18)
InChIKeyXTFYVDCZSSIJTE-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
N-(cyanomethyl)-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 96665573
4-[(4-methoxy-2,5-dimethylphenyl)methylamino]-3-methylbutanoic acid
CID 115219916
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid
CID 82306007
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
4-(2-fluoro-3-methoxyphenyl)-3-methylbutanoic acid
CID 104795667

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid?
The IUPAC name of 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid (CID 116926751) is 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid is COc1cc(C)c(CC(C)CC(=O)O)cc1C(C)C.
What is the InChIKey of 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid?
The InChIKey is XTFYVDCZSSIJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)14-9-13(6-11(3)7-16(17)18)12(4)8-15(14)19-5/h8-11H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid?
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid has a molecular weight of 264.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 116926751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).