ethyl 2-(2-methyldibenzofuran-1-yl)acetate

C17H16O3 — CID 150461588

IUPACethyl 2-(2-methyldibenzofuran-1-yl)acetate
SMILESCCOC(=O)Cc1c(C)ccc2oc3ccccc3c12
InChIInChI=1S/C17H16O3/c1-3-19-16(18)10-13-11(2)8-9-15-17(13)12-6-4-5-7-14(12)20-15/h4-9H,3,10H2,1-2H3
InChIKeyHPWWEGGBPXINDE-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.00
Rot. Bonds3

About ethyl 2-(2-methyldibenzofuran-1-yl)acetate

ethyl 2-(2-methyldibenzofuran-1-yl)acetate (PubChem CID 150461588) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-(2-methyldibenzofuran-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyldibenzofuran-1-yl)acetate
PubChem CID150461588
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nameethyl 2-(2-methyldibenzofuran-1-yl)acetate
SMILESCCOC(=O)Cc1c(C)ccc2oc3ccccc3c12
InChIInChI=1S/C17H16O3/c1-3-19-16(18)10-13-11(2)8-9-15-17(13)12-6-4-5-7-14(12)20-15/h4-9H,3,10H2,1-2H3
InChIKeyHPWWEGGBPXINDE-UHFFFAOYSA-N
XLogP4.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyldibenzofuran-1-yl)acetate?
The IUPAC name of ethyl 2-(2-methyldibenzofuran-1-yl)acetate (CID 150461588) is ethyl 2-(2-methyldibenzofuran-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyldibenzofuran-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyldibenzofuran-1-yl)acetate is CCOC(=O)Cc1c(C)ccc2oc3ccccc3c12.
What is the InChIKey of ethyl 2-(2-methyldibenzofuran-1-yl)acetate?
The InChIKey is HPWWEGGBPXINDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-19-16(18)10-13-11(2)8-9-15-17(13)12-6-4-5-7-14(12)20-15/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(2-methyldibenzofuran-1-yl)acetate?
ethyl 2-(2-methyldibenzofuran-1-yl)acetate has a molecular weight of 268.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyldibenzofuran-1-yl)acetate is sourced from PubChem (CID 150461588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).