2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid

C16H17NO3 — CID 167879093

IUPAC2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid
SMILESCc1cncc(-c2ccc(OC(C)(C)C(=O)O)cc2)c1
InChIInChI=1S/C16H17NO3/c1-11-8-13(10-17-9-11)12-4-6-14(7-5-12)20-16(2,3)15(18)19/h4-10H,1-3H3,(H,18,19)
InChIKeySDZXIMZCSHIQME-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.30
Rot. Bonds4

About 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid

2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid (PubChem CID 167879093) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid
PubChem CID167879093
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid
SMILESCc1cncc(-c2ccc(OC(C)(C)C(=O)O)cc2)c1
InChIInChI=1S/C16H17NO3/c1-11-8-13(10-17-9-11)12-4-6-14(7-5-12)20-16(2,3)15(18)19/h4-10H,1-3H3,(H,18,19)
InChIKeySDZXIMZCSHIQME-UHFFFAOYSA-N
XLogP3.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid (CID 167879093) is 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid is Cc1cncc(-c2ccc(OC(C)(C)C(=O)O)cc2)c1.
What is the InChIKey of 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid?
The InChIKey is SDZXIMZCSHIQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-8-13(10-17-9-11)12-4-6-14(7-5-12)20-16(2,3)15(18)19/h4-10H,1-3H3,(H,18,19).
What are the key properties of 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid?
2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid is sourced from PubChem (CID 167879093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).