2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid

C15H22O2 — CID 115006023

IUPAC2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1ccccc1CC(C)C(=O)O
InChIInChI=1S/C15H22O2/c1-4-12(5-2)14-9-7-6-8-13(14)10-11(3)15(16)17/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyYGNVAZGIMSUGKU-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.85
Rot. Bonds6

About 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid

2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid (PubChem CID 115006023) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
PubChem CID115006023
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1ccccc1CC(C)C(=O)O
InChIInChI=1S/C15H22O2/c1-4-12(5-2)14-9-7-6-8-13(14)10-11(3)15(16)17/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyYGNVAZGIMSUGKU-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
CID 117342727
2-amino-2-(2-pentan-3-ylphenyl)acetic acid
CID 83838407
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322
3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid
CID 83884320
3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
CID 67924023
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
3-[3-(difluoromethyl)-2-methoxyphenyl]-2-methylpropanoic acid
CID 84704408
3-amino-2-(2-pentan-3-ylphenyl)propanoic acid
CID 115006048
3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid
CID 58683416
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid (CID 115006023) is 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid is CCC(CC)c1ccccc1CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid?
The InChIKey is YGNVAZGIMSUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-12(5-2)14-9-7-6-8-13(14)10-11(3)15(16)17/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid?
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid is sourced from PubChem (CID 115006023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).