2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid

C16H24O3 — CID 112519602

IUPAC2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
SMILESCOc1cc(C(C)C)ccc1C(CC(C)C)C(=O)O
InChIInChI=1S/C16H24O3/c1-10(2)8-14(16(17)18)13-7-6-12(11(3)4)9-15(13)19-5/h6-7,9-11,14H,8H2,1-5H3,(H,17,18)
InChIKeyGKRCGGAZWQSUSE-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.03
Rot. Bonds6

About 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid

2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid (PubChem CID 112519602) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
PubChem CID112519602
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
SMILESCOc1cc(C(C)C)ccc1C(CC(C)C)C(=O)O
InChIInChI=1S/C16H24O3/c1-10(2)8-14(16(17)18)13-7-6-12(11(3)4)9-15(13)19-5/h6-7,9-11,14H,8H2,1-5H3,(H,17,18)
InChIKeyGKRCGGAZWQSUSE-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676
2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 82087442
4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid
CID 67568099
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 112513593
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid?
The IUPAC name of 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid (CID 112519602) is 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid is COc1cc(C(C)C)ccc1C(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid?
The InChIKey is GKRCGGAZWQSUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)8-14(16(17)18)13-7-6-12(11(3)4)9-15(13)19-5/h6-7,9-11,14H,8H2,1-5H3,(H,17,18).
What are the key properties of 2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid?
2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 4.03, 6 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)-4-methylpentanoic acid is sourced from PubChem (CID 112519602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).