dibenzofuran-2-yl 3-chlorobenzoate

C19H11ClO3 — CID 3985789

IUPACdibenzofuran-2-yl 3-chlorobenzoate
SMILESO=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(Cl)c1
InChIInChI=1S/C19H11ClO3/c20-13-5-3-4-12(10-13)19(21)22-14-8-9-18-16(11-14)15-6-1-2-7-17(15)23-18/h1-11H
InChIKeyLDSYNAKOIGNAKV-UHFFFAOYSA-N
MW322.75 g/mol
LogP5.46
Rot. Bonds2

About dibenzofuran-2-yl 3-chlorobenzoate

dibenzofuran-2-yl 3-chlorobenzoate (PubChem CID 3985789) has the molecular formula C19H11ClO3 and a molecular weight of 322.75 g/mol. Its IUPAC name is dibenzofuran-2-yl 3-chlorobenzoate.

Molecular Properties

Compound Namedibenzofuran-2-yl 3-chlorobenzoate
PubChem CID3985789
Molecular FormulaC19H11ClO3
Molecular Weight322.75 g/mol
Exact Mass322.04
IUPAC Namedibenzofuran-2-yl 3-chlorobenzoate
SMILESO=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(Cl)c1
InChIInChI=1S/C19H11ClO3/c20-13-5-3-4-12(10-13)19(21)22-14-8-9-18-16(11-14)15-6-1-2-7-17(15)23-18/h1-11H
InChIKeyLDSYNAKOIGNAKV-UHFFFAOYSA-N
XLogP5.46
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.75
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 3-chlorobenzoate?
The IUPAC name of dibenzofuran-2-yl 3-chlorobenzoate (CID 3985789) is dibenzofuran-2-yl 3-chlorobenzoate.
What is the SMILES notation for dibenzofuran-2-yl 3-chlorobenzoate?
The canonical SMILES for dibenzofuran-2-yl 3-chlorobenzoate is O=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(Cl)c1.
What is the InChIKey of dibenzofuran-2-yl 3-chlorobenzoate?
The InChIKey is LDSYNAKOIGNAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClO3/c20-13-5-3-4-12(10-13)19(21)22-14-8-9-18-16(11-14)15-6-1-2-7-17(15)23-18/h1-11H.
What are the key properties of dibenzofuran-2-yl 3-chlorobenzoate?
dibenzofuran-2-yl 3-chlorobenzoate has a molecular weight of 322.75 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 3-chlorobenzoate is sourced from PubChem (CID 3985789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).