dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate

C20H16O6S — CID 2133595

IUPACdibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate
SMILESCOc1ccc(OC)c(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C20H16O6S/c1-23-13-7-10-19(24-2)20(12-13)27(21,22)26-14-8-9-18-16(11-14)15-5-3-4-6-17(15)25-18/h3-12H,1-2H3
InChIKeyUPQSOURIMPOXSW-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.37
Rot. Bonds5

About dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate

dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate (PubChem CID 2133595) has the molecular formula C20H16O6S and a molecular weight of 384.41 g/mol. Its IUPAC name is dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate.

Molecular Properties

Compound Namedibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate
PubChem CID2133595
Molecular FormulaC20H16O6S
Molecular Weight384.41 g/mol
Exact Mass384.07
IUPAC Namedibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate
SMILESCOc1ccc(OC)c(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C20H16O6S/c1-23-13-7-10-19(24-2)20(12-13)27(21,22)26-14-8-9-18-16(11-14)15-5-3-4-6-17(15)25-18/h3-12H,1-2H3
InChIKeyUPQSOURIMPOXSW-UHFFFAOYSA-N
XLogP4.37
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromophenyl) 2,5-dimethoxybenzenesulfonate
CID 7574279
dibenzofuran-2-yl 4-bromobenzenesulfonate
CID 7573621
(4-chlorophenyl) 2,5-dimethoxybenzenesulfonate
CID 26946259
(2-chlorophenyl) 2,5-dimethoxybenzenesulfonate
CID 172894052
5,16-dimethoxy-9,20-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene
CID 53382046
(2-methylquinolin-4-yl) 2,5-dimethoxybenzenesulfonate
CID 3982638
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
dibenzofuran-2-yl 2-chloro-5-nitrobenzenesulfonate
CID 7573620
(4-cyanophenyl) 2,5-dimethoxybenzenesulfonate
CID 2804187
(2,4,6-tribromophenyl) 2,5-dimethoxybenzenesulfonate
CID 138994822
dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
CID 5147603
phenyl 2-methoxy-5-methylbenzenesulfonate
CID 166600539

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate?
The IUPAC name of dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate (CID 2133595) is dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate.
What is the SMILES notation for dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate?
The canonical SMILES for dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate is COc1ccc(OC)c(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate?
The InChIKey is UPQSOURIMPOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6S/c1-23-13-7-10-19(24-2)20(12-13)27(21,22)26-14-8-9-18-16(11-14)15-5-3-4-6-17(15)25-18/h3-12H,1-2H3.
What are the key properties of dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate?
dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate has a molecular weight of 384.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate is sourced from PubChem (CID 2133595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).