dibenzofuran-2-yl 3,5-dimethoxybenzoate

C21H16O5 — CID 4314506

IUPACdibenzofuran-2-yl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)Oc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C21H16O5/c1-23-15-9-13(10-16(11-15)24-2)21(22)25-14-7-8-20-18(12-14)17-5-3-4-6-19(17)26-20/h3-12H,1-2H3
InChIKeyMLTBQQVQIWXCRJ-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.82
Rot. Bonds4

About dibenzofuran-2-yl 3,5-dimethoxybenzoate

dibenzofuran-2-yl 3,5-dimethoxybenzoate (PubChem CID 4314506) has the molecular formula C21H16O5 and a molecular weight of 348.35 g/mol. Its IUPAC name is dibenzofuran-2-yl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Namedibenzofuran-2-yl 3,5-dimethoxybenzoate
PubChem CID4314506
Molecular FormulaC21H16O5
Molecular Weight348.35 g/mol
Exact Mass348.10
IUPAC Namedibenzofuran-2-yl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)Oc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C21H16O5/c1-23-15-9-13(10-16(11-15)24-2)21(22)25-14-7-8-20-18(12-14)17-5-3-4-6-19(17)26-20/h3-12H,1-2H3
InChIKeyMLTBQQVQIWXCRJ-UHFFFAOYSA-N
XLogP4.82
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze dibenzofuran-2-yl 3,5-dimethoxybenzoate 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

dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
dibenzofuran-2-yl 4-(trifluoromethyl)benzoate
CID 2472761
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8513564
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
methyl dibenzofuran-2-carboxylate
CID 3702628
dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
CID 5147603
(2-methyl-1,3-benzoxazol-6-yl) 3,5-dimethoxybenzoate
CID 110494414
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2591832
3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide
CID 3762695

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 3,5-dimethoxybenzoate?
The IUPAC name of dibenzofuran-2-yl 3,5-dimethoxybenzoate (CID 4314506) is dibenzofuran-2-yl 3,5-dimethoxybenzoate.
What is the SMILES notation for dibenzofuran-2-yl 3,5-dimethoxybenzoate?
The canonical SMILES for dibenzofuran-2-yl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)Oc2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of dibenzofuran-2-yl 3,5-dimethoxybenzoate?
The InChIKey is MLTBQQVQIWXCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O5/c1-23-15-9-13(10-16(11-15)24-2)21(22)25-14-7-8-20-18(12-14)17-5-3-4-6-19(17)26-20/h3-12H,1-2H3.
What are the key properties of dibenzofuran-2-yl 3,5-dimethoxybenzoate?
dibenzofuran-2-yl 3,5-dimethoxybenzoate has a molecular weight of 348.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 3,5-dimethoxybenzoate is sourced from PubChem (CID 4314506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).