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

C16H24O3 — CID 112509429

IUPAC2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
SMILESCCOc1cc(C)c(C(CC(C)C)C(=O)O)cc1C
InChIInChI=1S/C16H24O3/c1-6-19-15-9-11(4)13(8-12(15)5)14(16(17)18)7-10(2)3/h8-10,14H,6-7H2,1-5H3,(H,17,18)
InChIKeyAYIBJNLWIXFWEF-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.92
Rot. Bonds6

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

2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid (PubChem CID 112509429) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
PubChem CID112509429
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
SMILESCCOc1cc(C)c(C(CC(C)C)C(=O)O)cc1C
InChIInChI=1S/C16H24O3/c1-6-19-15-9-11(4)13(8-12(15)5)14(16(17)18)7-10(2)3/h8-10,14H,6-7H2,1-5H3,(H,17,18)
InChIKeyAYIBJNLWIXFWEF-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 82087442
2-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
CID 112518760
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
CID 112514673
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
2-(3-ethoxy-2-nitrophenyl)-4-methylpentanoic acid
CID 104571808
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492
3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
CID 112512601
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid?
The IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid (CID 112509429) is 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid is CCOc1cc(C)c(C(CC(C)C)C(=O)O)cc1C.
What is the InChIKey of 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid?
The InChIKey is AYIBJNLWIXFWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-6-19-15-9-11(4)13(8-12(15)5)14(16(17)18)7-10(2)3/h8-10,14H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid?
2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid has a molecular weight of 264.36 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid is sourced from PubChem (CID 112509429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).