2-phenoxy-2-phenylbutanoic acid

C16H16O3 — CID 20567350

IUPAC2-phenoxy-2-phenylbutanoic acid
SMILESCCC(Oc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16O3/c1-2-16(15(17)18,13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)
InChIKeyBIRMHKVSJCSRAT-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.46
Rot. Bonds5

About 2-phenoxy-2-phenylbutanoic acid

2-phenoxy-2-phenylbutanoic acid (PubChem CID 20567350) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-phenoxy-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-phenoxy-2-phenylbutanoic acid
PubChem CID20567350
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-phenoxy-2-phenylbutanoic acid
SMILESCCC(Oc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16O3/c1-2-16(15(17)18,13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)
InChIKeyBIRMHKVSJCSRAT-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenoxy-2-phenylbutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-phenoxy-2-phenylbutanoic acid;dihydrate
CID 20567349
2,2-diphenoxybutanoic acid
CID 159827255
2-phenyl-2-[3-(trifluoromethyl)phenoxy]heptanoic acid
CID 23047937
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319
ethyl 2-phenoxy-2,2-diphenylacetate
CID 134961459
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
2-(4-iodophenyl)-2-(2-pyrrol-1-ylphenoxy)butanoic acid
CID 11561408
2-fluoro-2-phenoxypentanoic acid
CID 70113612
2-(4-bromophenyl)-2-methoxybutanoic acid
CID 83845054
azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid
CID 173433040
dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate
CID 139989411
2-pentyl-2-phenoxyheptanoic acid
CID 150989456

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-2-phenylbutanoic acid?
The IUPAC name of 2-phenoxy-2-phenylbutanoic acid (CID 20567350) is 2-phenoxy-2-phenylbutanoic acid.
What is the SMILES notation for 2-phenoxy-2-phenylbutanoic acid?
The canonical SMILES for 2-phenoxy-2-phenylbutanoic acid is CCC(Oc1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenoxy-2-phenylbutanoic acid?
The InChIKey is BIRMHKVSJCSRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-16(15(17)18,13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18).
What are the key properties of 2-phenoxy-2-phenylbutanoic acid?
2-phenoxy-2-phenylbutanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-phenylbutanoic acid is sourced from PubChem (CID 20567350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).