4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one

C15H18O2 — CID 174798410

IUPAC4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one
SMILESCc1cc(C2CC2)c2c(c1C)OC(C)(C)C2=O
InChIInChI=1S/C15H18O2/c1-8-7-11(10-5-6-10)12-13(9(8)2)17-15(3,4)14(12)16/h7,10H,5-6H2,1-4H3
InChIKeyILUNRBROFLSQHV-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.53
Rot. Bonds1

About 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one

4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one (PubChem CID 174798410) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one
PubChem CID174798410
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one
SMILESCc1cc(C2CC2)c2c(c1C)OC(C)(C)C2=O
InChIInChI=1S/C15H18O2/c1-8-7-11(10-5-6-10)12-13(9(8)2)17-15(3,4)14(12)16/h7,10H,5-6H2,1-4H3
InChIKeyILUNRBROFLSQHV-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one?
The IUPAC name of 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one (CID 174798410) is 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one.
What is the SMILES notation for 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one?
The canonical SMILES for 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one is Cc1cc(C2CC2)c2c(c1C)OC(C)(C)C2=O.
What is the InChIKey of 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one?
The InChIKey is ILUNRBROFLSQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-8-7-11(10-5-6-10)12-13(9(8)2)17-15(3,4)14(12)16/h7,10H,5-6H2,1-4H3.
What are the key properties of 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one?
4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one has a molecular weight of 230.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one is sourced from PubChem (CID 174798410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).