2-methyl-3-(4-propylphenyl)butanoic acid

C14H20O2 — CID 79730190

IUPAC2-methyl-3-(4-propylphenyl)butanoic acid
SMILESCCCc1ccc(C(C)C(C)C(=O)O)cc1
InChIInChI=1S/C14H20O2/c1-4-5-12-6-8-13(9-7-12)10(2)11(3)14(15)16/h6-11H,4-5H2,1-3H3,(H,15,16)
InChIKeyXYUZRXTVFHPHAY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.46
Rot. Bonds5

About 2-methyl-3-(4-propylphenyl)butanoic acid

2-methyl-3-(4-propylphenyl)butanoic acid (PubChem CID 79730190) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-methyl-3-(4-propylphenyl)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-propylphenyl)butanoic acid
PubChem CID79730190
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-methyl-3-(4-propylphenyl)butanoic acid
SMILESCCCc1ccc(C(C)C(C)C(=O)O)cc1
InChIInChI=1S/C14H20O2/c1-4-5-12-6-8-13(9-7-12)10(2)11(3)14(15)16/h6-11H,4-5H2,1-3H3,(H,15,16)
InChIKeyXYUZRXTVFHPHAY-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-propylphenyl)propanoic acid
CID 14880971
methyl 2-hydroxy-3-(4-propylphenyl)butanoate
CID 66287752
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296
methyl 2-(4-propylphenyl)propanoate
CID 62801402
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
ethane;4-propylbenzoic acid
CID 91047964

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propylphenyl)butanoic acid?
The IUPAC name of 2-methyl-3-(4-propylphenyl)butanoic acid (CID 79730190) is 2-methyl-3-(4-propylphenyl)butanoic acid.
What is the SMILES notation for 2-methyl-3-(4-propylphenyl)butanoic acid?
The canonical SMILES for 2-methyl-3-(4-propylphenyl)butanoic acid is CCCc1ccc(C(C)C(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-3-(4-propylphenyl)butanoic acid?
The InChIKey is XYUZRXTVFHPHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-5-12-6-8-13(9-7-12)10(2)11(3)14(15)16/h6-11H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-(4-propylphenyl)butanoic acid?
2-methyl-3-(4-propylphenyl)butanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propylphenyl)butanoic acid is sourced from PubChem (CID 79730190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).