2-(4-propylphenyl)propanoic acid

C12H16O2 — CID 14880971

IUPAC2-(4-propylphenyl)propanoic acid
SMILESCCCc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C12H16O2/c1-3-4-10-5-7-11(8-6-10)9(2)12(13)14/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyDMJYWNOMDAPUTN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.83
Rot. Bonds4

About 2-(4-propylphenyl)propanoic acid

2-(4-propylphenyl)propanoic acid (PubChem CID 14880971) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(4-propylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-propylphenyl)propanoic acid
PubChem CID14880971
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(4-propylphenyl)propanoic acid
SMILESCCCc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C12H16O2/c1-3-4-10-5-7-11(8-6-10)9(2)12(13)14/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyDMJYWNOMDAPUTN-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-(4-propylphenyl)butanoic acid
CID 79730190
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
methyl 2-(4-propylphenyl)propanoate
CID 62801402
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
(2R)-2-[4-(sulfanylmethyl)phenyl]propanoic acid
CID 141071561
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
2-[4-(3-propanoyloxybutyl)phenyl]propanoic acid
CID 71254267
2-[4-[[methyl(pentan-2-yl)amino]methyl]phenyl]propanoic acid
CID 105345697
2-[4-(cyanomethyl)phenyl]propanoic acid
CID 66893390

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenyl)propanoic acid?
The IUPAC name of 2-(4-propylphenyl)propanoic acid (CID 14880971) is 2-(4-propylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-propylphenyl)propanoic acid?
The canonical SMILES for 2-(4-propylphenyl)propanoic acid is CCCc1ccc(C(C)C(=O)O)cc1.
What is the InChIKey of 2-(4-propylphenyl)propanoic acid?
The InChIKey is DMJYWNOMDAPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-10-5-7-11(8-6-10)9(2)12(13)14/h5-9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-propylphenyl)propanoic acid?
2-(4-propylphenyl)propanoic acid has a molecular weight of 192.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenyl)propanoic acid is sourced from PubChem (CID 14880971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).