(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone

C16H18O3 — CID 79759524

IUPAC(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone
SMILESCCc1oc2ccccc2c1C(=O)C1CCOC1C
InChIInChI=1S/C16H18O3/c1-3-13-15(12-6-4-5-7-14(12)19-13)16(17)11-8-9-18-10(11)2/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyILRQVZCSOJUAQS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.60
Rot. Bonds3

About (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone

(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 79759524) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID79759524
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone
SMILESCCc1oc2ccccc2c1C(=O)C1CCOC1C
InChIInChI=1S/C16H18O3/c1-3-13-15(12-6-4-5-7-14(12)19-13)16(17)11-8-9-18-10(11)2/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyILRQVZCSOJUAQS-UHFFFAOYSA-N
XLogP3.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone (CID 79759524) is (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone is CCc1oc2ccccc2c1C(=O)C1CCOC1C.
What is the InChIKey of (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is ILRQVZCSOJUAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-13-15(12-6-4-5-7-14(12)19-13)16(17)11-8-9-18-10(11)2/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone?
(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79759524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).