3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid

C15H22O2 — CID 58683416

IUPAC3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid
SMILESCC(C)c1ccccc1CC(C(=O)O)C(C)C
InChIInChI=1S/C15H22O2/c1-10(2)13-8-6-5-7-12(13)9-14(11(3)4)15(16)17/h5-8,10-11,14H,9H2,1-4H3,(H,16,17)
InChIKeyZLDFRVAHZZBVML-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.71
Rot. Bonds5

About 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid

3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid (PubChem CID 58683416) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid
PubChem CID58683416
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid
SMILESCC(C)c1ccccc1CC(C(=O)O)C(C)C
InChIInChI=1S/C15H22O2/c1-10(2)13-8-6-5-7-12(13)9-14(11(3)4)15(16)17/h5-8,10-11,14H,9H2,1-4H3,(H,16,17)
InChIKeyZLDFRVAHZZBVML-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70396456
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3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
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CID 58591852
3-methyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butanoic acid
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1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
N-hydroxy-2-(2-propan-2-ylphenyl)acetamide
CID 142619078
(E)-2-methyl-3-[(2-propan-2-ylphenyl)methyl]but-2-enedioic acid
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid (CID 58683416) is 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid is CC(C)c1ccccc1CC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid?
The InChIKey is ZLDFRVAHZZBVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)13-8-6-5-7-12(13)9-14(11(3)4)15(16)17/h5-8,10-11,14H,9H2,1-4H3,(H,16,17).
What are the key properties of 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid?
3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid is sourced from PubChem (CID 58683416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).