methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate

C27H20O4 — CID 54149698

IUPACmethyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate
SMILESCOC(=O)COc1c(-c2ccccc2)cc2oc3ccccc3c2c1-c1ccccc1
InChIInChI=1S/C27H20O4/c1-29-24(28)17-30-27-21(18-10-4-2-5-11-18)16-23-26(20-14-8-9-15-22(20)31-23)25(27)19-12-6-3-7-13-19/h2-16H,17H2,1H3
InChIKeyOGWNIOGCJBDFIU-UHFFFAOYSA-N
MW408.45 g/mol
LogP6.47
Rot. Bonds5

About methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate

methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate (PubChem CID 54149698) has the molecular formula C27H20O4 and a molecular weight of 408.45 g/mol. Its IUPAC name is methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate
PubChem CID54149698
Molecular FormulaC27H20O4
Molecular Weight408.45 g/mol
Exact Mass408.14
IUPAC Namemethyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate
SMILESCOC(=O)COc1c(-c2ccccc2)cc2oc3ccccc3c2c1-c1ccccc1
InChIInChI=1S/C27H20O4/c1-29-24(28)17-30-27-21(18-10-4-2-5-11-18)16-23-26(20-14-8-9-15-22(20)31-23)25(27)19-12-6-3-7-13-19/h2-16H,17H2,1H3
InChIKeyOGWNIOGCJBDFIU-UHFFFAOYSA-N
XLogP6.47
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate?
The IUPAC name of methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate (CID 54149698) is methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate.
What is the SMILES notation for methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate?
The canonical SMILES for methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate is COC(=O)COc1c(-c2ccccc2)cc2oc3ccccc3c2c1-c1ccccc1.
What is the InChIKey of methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate?
The InChIKey is OGWNIOGCJBDFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O4/c1-29-24(28)17-30-27-21(18-10-4-2-5-11-18)16-23-26(20-14-8-9-15-22(20)31-23)25(27)19-12-6-3-7-13-19/h2-16H,17H2,1H3.
What are the key properties of methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate?
methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate has a molecular weight of 408.45 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-diphenyldibenzofuran-2-yl)oxyacetate is sourced from PubChem (CID 54149698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).