dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate

C20H13ClO4 — CID 5153228

IUPACdibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H13ClO4/c21-13-5-7-14(8-6-13)23-12-20(22)24-15-9-10-19-17(11-15)16-3-1-2-4-18(16)25-19/h1-11H,12H2
InChIKeyCZYHAZACTAFVFH-UHFFFAOYSA-N
MW352.77 g/mol
LogP5.22
Rot. Bonds4

About dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate

dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate (PubChem CID 5153228) has the molecular formula C20H13ClO4 and a molecular weight of 352.77 g/mol. Its IUPAC name is dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Namedibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
PubChem CID5153228
Molecular FormulaC20H13ClO4
Molecular Weight352.77 g/mol
Exact Mass352.05
IUPAC Namedibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H13ClO4/c21-13-5-7-14(8-6-13)23-12-20(22)24-15-9-10-19-17(11-15)16-3-1-2-4-18(16)25-19/h1-11H,12H2
InChIKeyCZYHAZACTAFVFH-UHFFFAOYSA-N
XLogP5.22
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.77
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
dibenzofuran-2-yl 4-(4-bromophenoxy)butanoate
CID 3465330
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
3-[2-(4-chlorophenoxy)acetyl]-4-hydroxychromen-2-one
CID 54684404
dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 31304362
dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 5199831
dibenzofuran-2-yl 4-phenylsulfanylbutanoate
CID 5205509
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
(4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805309
ethyl 3-[[2-(4-chlorophenoxy)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560190

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate?
The IUPAC name of dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate (CID 5153228) is dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate?
The InChIKey is CZYHAZACTAFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO4/c21-13-5-7-14(8-6-13)23-12-20(22)24-15-9-10-19-17(11-15)16-3-1-2-4-18(16)25-19/h1-11H,12H2.
What are the key properties of dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate?
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate has a molecular weight of 352.77 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 5153228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).