2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile

C14H17NO2 — CID 15086720

IUPAC2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile
SMILESCc1c(C)c2c(c(C)c1O)CC(C)(CC#N)O2
InChIInChI=1S/C14H17NO2/c1-8-9(2)13-11(10(3)12(8)16)7-14(4,17-13)5-6-15/h16H,5,7H2,1-4H3
InChIKeyLUWIAIUEKWRHTJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.92
Rot. Bonds1

About 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile

2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile (PubChem CID 15086720) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile
PubChem CID15086720
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile
SMILESCc1c(C)c2c(c(C)c1O)CC(C)(CC#N)O2
InChIInChI=1S/C14H17NO2/c1-8-9(2)13-11(10(3)12(8)16)7-14(4,17-13)5-6-15/h16H,5,7H2,1-4H3
InChIKeyLUWIAIUEKWRHTJ-UHFFFAOYSA-N
XLogP2.92
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile?
The IUPAC name of 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile (CID 15086720) is 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile?
The canonical SMILES for 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile is Cc1c(C)c2c(c(C)c1O)CC(C)(CC#N)O2.
What is the InChIKey of 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile?
The InChIKey is LUWIAIUEKWRHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8-9(2)13-11(10(3)12(8)16)7-14(4,17-13)5-6-15/h16H,5,7H2,1-4H3.
What are the key properties of 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile?
2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile has a molecular weight of 231.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile is sourced from PubChem (CID 15086720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).