2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid

C15H22O3 — CID 82087442

IUPAC2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
SMILESCOc1cc(C)c(C(CC(C)C)C(=O)O)cc1C
InChIInChI=1S/C15H22O3/c1-9(2)6-13(15(16)17)12-7-11(4)14(18-5)8-10(12)3/h7-9,13H,6H2,1-5H3,(H,16,17)
InChIKeyQQUVPQNSIZAMDE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid

2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid (PubChem CID 82087442) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
PubChem CID82087442
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
SMILESCOc1cc(C)c(C(CC(C)C)C(=O)O)cc1C
InChIInChI=1S/C15H22O3/c1-9(2)6-13(15(16)17)12-7-11(4)14(18-5)8-10(12)3/h7-9,13H,6H2,1-5H3,(H,16,17)
InChIKeyQQUVPQNSIZAMDE-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 112509429
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938400
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026
2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
CID 112519602
2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
5-chloro-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 66618720
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
2-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
CID 112518760

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid (CID 82087442) is 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid is COc1cc(C)c(C(CC(C)C)C(=O)O)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid?
The InChIKey is QQUVPQNSIZAMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(2)6-13(15(16)17)12-7-11(4)14(18-5)8-10(12)3/h7-9,13H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid?
2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid is sourced from PubChem (CID 82087442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).