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

C15H22O3 — CID 82297509

IUPAC2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCOc1cc(C(C)C)ccc1C(C(=O)O)C(C)C
InChIInChI=1S/C15H22O3/c1-9(2)11-6-7-12(13(8-11)18-5)14(10(3)4)15(16)17/h6-10,14H,1-5H3,(H,16,17)
InChIKeyGDIWHARAEMYYFX-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.64
Rot. Bonds5

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

2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid (PubChem CID 82297509) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
PubChem CID82297509
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCOc1cc(C(C)C)ccc1C(C(=O)O)C(C)C
InChIInChI=1S/C15H22O3/c1-9(2)11-6-7-12(13(8-11)18-5)14(10(3)4)15(16)17/h6-10,14H,1-5H3,(H,16,17)
InChIKeyGDIWHARAEMYYFX-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
CID 112519602
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676
2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 112513593
(2R)-3-methyl-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 93182014
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920512
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid?
The IUPAC name of 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid (CID 82297509) is 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid is COc1cc(C(C)C)ccc1C(C(=O)O)C(C)C.
What is the InChIKey of 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid?
The InChIKey is GDIWHARAEMYYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(2)11-6-7-12(13(8-11)18-5)14(10(3)4)15(16)17/h6-10,14H,1-5H3,(H,16,17).
What are the key properties of 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid?
2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 82297509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).