6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol

C12H16O2 — CID 14143240

IUPAC6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCC(C)(C)c1cc2c(cc1O)CCO2
InChIInChI=1S/C12H16O2/c1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h6-7,13H,4-5H2,1-3H3
InChIKeyKIENDJSLDKQQSL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.62
Rot. Bonds

About 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol

6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14143240) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14143240
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCC(C)(C)c1cc2c(cc1O)CCO2
InChIInChI=1S/C12H16O2/c1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h6-7,13H,4-5H2,1-3H3
InChIKeyKIENDJSLDKQQSL-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol (CID 14143240) is 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol is CC(C)(C)c1cc2c(cc1O)CCO2.
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is KIENDJSLDKQQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol?
6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 192.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14143240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).