2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran

C14H18O2 — CID 163489878

IUPAC2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran
SMILESCCOCc1cc2cc(C)c(C)c(C)c2o1
InChIInChI=1S/C14H18O2/c1-5-15-8-13-7-12-6-9(2)10(3)11(4)14(12)16-13/h6-7H,5,8H2,1-4H3
InChIKeyCBKCYRNOLOMSKI-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.89
Rot. Bonds3

About 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran

2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran (PubChem CID 163489878) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran.

Molecular Properties

Compound Name2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran
PubChem CID163489878
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran
SMILESCCOCc1cc2cc(C)c(C)c(C)c2o1
InChIInChI=1S/C14H18O2/c1-5-15-8-13-7-12-6-9(2)10(3)11(4)14(12)16-13/h6-7H,5,8H2,1-4H3
InChIKeyCBKCYRNOLOMSKI-UHFFFAOYSA-N
XLogP3.89
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran?
The IUPAC name of 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran (CID 163489878) is 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran.
What is the SMILES notation for 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran?
The canonical SMILES for 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran is CCOCc1cc2cc(C)c(C)c(C)c2o1.
What is the InChIKey of 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran?
The InChIKey is CBKCYRNOLOMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-15-8-13-7-12-6-9(2)10(3)11(4)14(12)16-13/h6-7H,5,8H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran?
2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran has a molecular weight of 218.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5,6,7-trimethyl-1-benzofuran is sourced from PubChem (CID 163489878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).