2-(4-methylphenoxy)-2-phenoxyacetic acid

C15H14O4 — CID 151278222

IUPAC2-(4-methylphenoxy)-2-phenoxyacetic acid
SMILESCc1ccc(OC(Oc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C15H14O4/c1-11-7-9-13(10-8-11)19-15(14(16)17)18-12-5-3-2-4-6-12/h2-10,15H,1H3,(H,16,17)
InChIKeyNXURLQADUXPJFG-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-methylphenoxy)-2-phenoxyacetic acid

2-(4-methylphenoxy)-2-phenoxyacetic acid (PubChem CID 151278222) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-2-phenoxyacetic acid.

Molecular Properties

Compound Name2-(4-methylphenoxy)-2-phenoxyacetic acid
PubChem CID151278222
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(4-methylphenoxy)-2-phenoxyacetic acid
SMILESCc1ccc(OC(Oc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C15H14O4/c1-11-7-9-13(10-8-11)19-15(14(16)17)18-12-5-3-2-4-6-12/h2-10,15H,1H3,(H,16,17)
InChIKeyNXURLQADUXPJFG-UHFFFAOYSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
(2R,3R)-2-hydroxy-3-(4-methylphenoxy)butanedioic acid
CID 69002771
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-(4-phenoxyphenoxy)propanedioic acid
CID 18516803
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
2,2-bis[4-[4-(trifluoromethyl)phenyl]phenoxy]acetic acid
CID 91671383
sodium;hydride;2-phenoxypropanoic acid
CID 174562261

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-2-phenoxyacetic acid?
The IUPAC name of 2-(4-methylphenoxy)-2-phenoxyacetic acid (CID 151278222) is 2-(4-methylphenoxy)-2-phenoxyacetic acid.
What is the SMILES notation for 2-(4-methylphenoxy)-2-phenoxyacetic acid?
The canonical SMILES for 2-(4-methylphenoxy)-2-phenoxyacetic acid is Cc1ccc(OC(Oc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-2-phenoxyacetic acid?
The InChIKey is NXURLQADUXPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-11-7-9-13(10-8-11)19-15(14(16)17)18-12-5-3-2-4-6-12/h2-10,15H,1H3,(H,16,17).
What are the key properties of 2-(4-methylphenoxy)-2-phenoxyacetic acid?
2-(4-methylphenoxy)-2-phenoxyacetic acid has a molecular weight of 258.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-2-phenoxyacetic acid is sourced from PubChem (CID 151278222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).