2,5-diethyl-2,3-dihydro-1-benzofuran

C12H16O — CID 19757400

IUPAC2,5-diethyl-2,3-dihydro-1-benzofuran
SMILESCCc1ccc2c(c1)CC(CC)O2
InChIInChI=1S/C12H16O/c1-3-9-5-6-12-10(7-9)8-11(4-2)13-12/h5-7,11H,3-4,8H2,1-2H3
InChIKeyONGIOQUTRUCWMS-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.96
Rot. Bonds2

About 2,5-diethyl-2,3-dihydro-1-benzofuran

2,5-diethyl-2,3-dihydro-1-benzofuran (PubChem CID 19757400) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,5-diethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,5-diethyl-2,3-dihydro-1-benzofuran
PubChem CID19757400
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,5-diethyl-2,3-dihydro-1-benzofuran
SMILESCCc1ccc2c(c1)CC(CC)O2
InChIInChI=1S/C12H16O/c1-3-9-5-6-12-10(7-9)8-11(4-2)13-12/h5-7,11H,3-4,8H2,1-2H3
InChIKeyONGIOQUTRUCWMS-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2,5-diethyl-2,3-dihydro-1-benzofuran (CID 19757400) is 2,5-diethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2,5-diethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2,5-diethyl-2,3-dihydro-1-benzofuran is CCc1ccc2c(c1)CC(CC)O2.
What is the InChIKey of 2,5-diethyl-2,3-dihydro-1-benzofuran?
The InChIKey is ONGIOQUTRUCWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-9-5-6-12-10(7-9)8-11(4-2)13-12/h5-7,11H,3-4,8H2,1-2H3.
What are the key properties of 2,5-diethyl-2,3-dihydro-1-benzofuran?
2,5-diethyl-2,3-dihydro-1-benzofuran has a molecular weight of 176.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 19757400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).