6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one

C17H16O3 — CID 71559915

IUPAC6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one
SMILESCc1ccc(CCOc2ccc3c(c2)C(=O)OC3)cc1
InChIInChI=1S/C17H16O3/c1-12-2-4-13(5-3-12)8-9-19-15-7-6-14-11-20-17(18)16(14)10-15/h2-7,10H,8-9,11H2,1H3
InChIKeyUGHDPWVZSDECGT-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.29
Rot. Bonds4

About 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one

6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one (PubChem CID 71559915) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one
PubChem CID71559915
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one
SMILESCc1ccc(CCOc2ccc3c(c2)C(=O)OC3)cc1
InChIInChI=1S/C17H16O3/c1-12-2-4-13(5-3-12)8-9-19-15-7-6-14-11-20-17(18)16(14)10-15/h2-7,10H,8-9,11H2,1H3
InChIKeyUGHDPWVZSDECGT-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one?
The IUPAC name of 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one (CID 71559915) is 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one?
The canonical SMILES for 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one is Cc1ccc(CCOc2ccc3c(c2)C(=O)OC3)cc1.
What is the InChIKey of 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one?
The InChIKey is UGHDPWVZSDECGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-2-4-13(5-3-12)8-9-19-15-7-6-14-11-20-17(18)16(14)10-15/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one?
6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylphenyl)ethoxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 71559915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).