2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid

C26H18O4 — CID 22237539

IUPAC2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid
SMILESO=C(O)COc1c(-c2ccccc2)cc2oc3ccccc3c2c1-c1ccccc1
InChIInChI=1S/C26H18O4/c27-23(28)16-29-26-20(17-9-3-1-4-10-17)15-22-25(19-13-7-8-14-21(19)30-22)24(26)18-11-5-2-6-12-18/h1-15H,16H2,(H,27,28)
InChIKeyVVLKUJYVWAURFN-UHFFFAOYSA-N
MW394.43 g/mol
LogP6.38
Rot. Bonds5

About 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid

2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid (PubChem CID 22237539) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid
PubChem CID22237539
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid
SMILESO=C(O)COc1c(-c2ccccc2)cc2oc3ccccc3c2c1-c1ccccc1
InChIInChI=1S/C26H18O4/c27-23(28)16-29-26-20(17-9-3-1-4-10-17)15-22-25(19-13-7-8-14-21(19)30-22)24(26)18-11-5-2-6-12-18/h1-15H,16H2,(H,27,28)
InChIKeyVVLKUJYVWAURFN-UHFFFAOYSA-N
XLogP6.38
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic 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

methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate
CID 54149698
2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034
2-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 155312586
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
9-[4-(10-phenylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185275
2-phenyl-1-(3-phenyl-2-benzofuran-1-yl)dibenzofuran
CID 156552811
3-methyl-1-phenyldibenzofuran
CID 129266933
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
2-bromo-1-phenyldibenzofuran
CID 138481410
2-[1-(4-phenanthren-9-ylphenyl)dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 142491327
10-phenyl-9-(15-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anthracene-1,2,4,5,7,8-hexol
CID 158300608

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid?
The IUPAC name of 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid (CID 22237539) is 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid?
The canonical SMILES for 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid is O=C(O)COc1c(-c2ccccc2)cc2oc3ccccc3c2c1-c1ccccc1.
What is the InChIKey of 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid?
The InChIKey is VVLKUJYVWAURFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c27-23(28)16-29-26-20(17-9-3-1-4-10-17)15-22-25(19-13-7-8-14-21(19)30-22)24(26)18-11-5-2-6-12-18/h1-15H,16H2,(H,27,28).
What are the key properties of 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid?
2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid has a molecular weight of 394.43 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid is sourced from PubChem (CID 22237539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).