4-(2,6-diphenylphenoxy)benzoic acid

C25H18O3 — CID 139330345

IUPAC4-(2,6-diphenylphenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C25H18O3/c26-25(27)20-14-16-21(17-15-20)28-24-22(18-8-3-1-4-9-18)12-7-13-23(24)19-10-5-2-6-11-19/h1-17H,(H,26,27)
InChIKeyICXMRUVLMGZFKG-UHFFFAOYSA-N
MW366.42 g/mol
LogP6.51
Rot. Bonds5

About 4-(2,6-diphenylphenoxy)benzoic acid

4-(2,6-diphenylphenoxy)benzoic acid (PubChem CID 139330345) has the molecular formula C25H18O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(2,6-diphenylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-(2,6-diphenylphenoxy)benzoic acid
PubChem CID139330345
Molecular FormulaC25H18O3
Molecular Weight366.42 g/mol
Exact Mass366.13
IUPAC Name4-(2,6-diphenylphenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C25H18O3/c26-25(27)20-14-16-21(17-15-20)28-24-22(18-8-3-1-4-9-18)12-7-13-23(24)19-10-5-2-6-11-19/h1-17H,(H,26,27)
InChIKeyICXMRUVLMGZFKG-UHFFFAOYSA-N
XLogP6.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,6-diphenylphenoxy)benzoic 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

4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-naphthalen-1-ylbenzoic acid
CID 2760151
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
CID 141069267
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
CID 69231179
ethane;4-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzoic acid
CID 169108803
3-[2-(3-carboxyphenoxy)-3-(3-phenylphenyl)phenoxy]benzoic acid
CID 141049278
4-[3-(4-carboxyphenoxy)-2,4,5,6-tetrachlorophenoxy]benzoic acid
CID 139971212
2-phenoxy-3-phenylaniline
CID 68786698
4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid
CID 57232035
benzene-1,3-diamine;4-(4-carboxyphenoxy)benzoic acid
CID 67851830
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenylphenoxy)benzoic acid?
The IUPAC name of 4-(2,6-diphenylphenoxy)benzoic acid (CID 139330345) is 4-(2,6-diphenylphenoxy)benzoic acid.
What is the SMILES notation for 4-(2,6-diphenylphenoxy)benzoic acid?
The canonical SMILES for 4-(2,6-diphenylphenoxy)benzoic acid is O=C(O)c1ccc(Oc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2,6-diphenylphenoxy)benzoic acid?
The InChIKey is ICXMRUVLMGZFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O3/c26-25(27)20-14-16-21(17-15-20)28-24-22(18-8-3-1-4-9-18)12-7-13-23(24)19-10-5-2-6-11-19/h1-17H,(H,26,27).
What are the key properties of 4-(2,6-diphenylphenoxy)benzoic acid?
4-(2,6-diphenylphenoxy)benzoic acid has a molecular weight of 366.42 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenylphenoxy)benzoic acid is sourced from PubChem (CID 139330345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).