7-tert-butyl-3H-2-benzofuran-1-one

C12H14O2 — CID 177118099

IUPAC7-tert-butyl-3H-2-benzofuran-1-one
SMILESCC(C)(C)c1cccc2c1C(=O)OC2
InChIInChI=1S/C12H14O2/c1-12(2,3)9-6-4-5-8-7-14-11(13)10(8)9/h4-6H,7H2,1-3H3
InChIKeyMTNWNQZZBRFRCZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds

About 7-tert-butyl-3H-2-benzofuran-1-one

7-tert-butyl-3H-2-benzofuran-1-one (PubChem CID 177118099) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 7-tert-butyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-tert-butyl-3H-2-benzofuran-1-one
PubChem CID177118099
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name7-tert-butyl-3H-2-benzofuran-1-one
SMILESCC(C)(C)c1cccc2c1C(=O)OC2
InChIInChI=1S/C12H14O2/c1-12(2,3)9-6-4-5-8-7-14-11(13)10(8)9/h4-6H,7H2,1-3H3
InChIKeyMTNWNQZZBRFRCZ-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3H-2-benzofuran-1-one?
The IUPAC name of 7-tert-butyl-3H-2-benzofuran-1-one (CID 177118099) is 7-tert-butyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-tert-butyl-3H-2-benzofuran-1-one?
The canonical SMILES for 7-tert-butyl-3H-2-benzofuran-1-one is CC(C)(C)c1cccc2c1C(=O)OC2.
What is the InChIKey of 7-tert-butyl-3H-2-benzofuran-1-one?
The InChIKey is MTNWNQZZBRFRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(2,3)9-6-4-5-8-7-14-11(13)10(8)9/h4-6H,7H2,1-3H3.
What are the key properties of 7-tert-butyl-3H-2-benzofuran-1-one?
7-tert-butyl-3H-2-benzofuran-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 177118099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).