dibenzofuran-2-yl 3,4-dimethoxybenzoate

C21H16O5 — CID 4003499

IUPACdibenzofuran-2-yl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1OC
InChIInChI=1S/C21H16O5/c1-23-19-9-7-13(11-20(19)24-2)21(22)25-14-8-10-18-16(12-14)15-5-3-4-6-17(15)26-18/h3-12H,1-2H3
InChIKeyMPYMJJMXALOGQJ-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.82
Rot. Bonds4

About dibenzofuran-2-yl 3,4-dimethoxybenzoate

dibenzofuran-2-yl 3,4-dimethoxybenzoate (PubChem CID 4003499) has the molecular formula C21H16O5 and a molecular weight of 348.35 g/mol. Its IUPAC name is dibenzofuran-2-yl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Namedibenzofuran-2-yl 3,4-dimethoxybenzoate
PubChem CID4003499
Molecular FormulaC21H16O5
Molecular Weight348.35 g/mol
Exact Mass348.10
IUPAC Namedibenzofuran-2-yl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1OC
InChIInChI=1S/C21H16O5/c1-23-19-9-7-13(11-20(19)24-2)21(22)25-14-8-10-18-16(12-14)15-5-3-4-6-17(15)26-18/h3-12H,1-2H3
InChIKeyMPYMJJMXALOGQJ-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'}

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Related Compounds

dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506
dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
CID 5147603
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
dibenzofuran-2-yl 4-(trifluoromethyl)benzoate
CID 2472761
methyl dibenzofuran-2-carboxylate
CID 3702628
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3,4-dimethoxybenzoate
CID 110494726
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2591832

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 3,4-dimethoxybenzoate?
The IUPAC name of dibenzofuran-2-yl 3,4-dimethoxybenzoate (CID 4003499) is dibenzofuran-2-yl 3,4-dimethoxybenzoate.
What is the SMILES notation for dibenzofuran-2-yl 3,4-dimethoxybenzoate?
The canonical SMILES for dibenzofuran-2-yl 3,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1OC.
What is the InChIKey of dibenzofuran-2-yl 3,4-dimethoxybenzoate?
The InChIKey is MPYMJJMXALOGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O5/c1-23-19-9-7-13(11-20(19)24-2)21(22)25-14-8-10-18-16(12-14)15-5-3-4-6-17(15)26-18/h3-12H,1-2H3.
What are the key properties of dibenzofuran-2-yl 3,4-dimethoxybenzoate?
dibenzofuran-2-yl 3,4-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 3,4-dimethoxybenzoate is sourced from PubChem (CID 4003499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).