2-(4-methyl-2-phenylphenoxy)acetic acid

C15H14O3 — CID 11195860

IUPAC2-(4-methyl-2-phenylphenoxy)acetic acid
SMILESCc1ccc(OCC(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-11-7-8-14(18-10-15(16)17)13(9-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWMFKXIMPCPHWNK-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.13
Rot. Bonds4

About 2-(4-methyl-2-phenylphenoxy)acetic acid

2-(4-methyl-2-phenylphenoxy)acetic acid (PubChem CID 11195860) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(4-methyl-2-phenylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-2-phenylphenoxy)acetic acid
PubChem CID11195860
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-(4-methyl-2-phenylphenoxy)acetic acid
SMILESCc1ccc(OCC(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-11-7-8-14(18-10-15(16)17)13(9-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWMFKXIMPCPHWNK-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methyl-2-phenylphenoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenylphenoxy)acetic acid?
The IUPAC name of 2-(4-methyl-2-phenylphenoxy)acetic acid (CID 11195860) is 2-(4-methyl-2-phenylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-methyl-2-phenylphenoxy)acetic acid?
The canonical SMILES for 2-(4-methyl-2-phenylphenoxy)acetic acid is Cc1ccc(OCC(=O)O)c(-c2ccccc2)c1.
What is the InChIKey of 2-(4-methyl-2-phenylphenoxy)acetic acid?
The InChIKey is WMFKXIMPCPHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-7-8-14(18-10-15(16)17)13(9-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-(4-methyl-2-phenylphenoxy)acetic acid?
2-(4-methyl-2-phenylphenoxy)acetic acid has a molecular weight of 242.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenylphenoxy)acetic acid is sourced from PubChem (CID 11195860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).