6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol

C11H14O2 — CID 14484946

IUPAC6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol
SMILESCC(C)c1cc2c(cc1O)CCO2
InChIInChI=1S/C11H14O2/c1-7(2)9-6-11-8(3-4-13-11)5-10(9)12/h5-7,12H,3-4H2,1-2H3
InChIKeyYGKABHHJEHPWKG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.45
Rot. Bonds1

About 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol

6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484946) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484946
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol
SMILESCC(C)c1cc2c(cc1O)CCO2
InChIInChI=1S/C11H14O2/c1-7(2)9-6-11-8(3-4-13-11)5-10(9)12/h5-7,12H,3-4H2,1-2H3
InChIKeyYGKABHHJEHPWKG-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol (CID 14484946) is 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol is CC(C)c1cc2c(cc1O)CCO2.
What is the InChIKey of 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is YGKABHHJEHPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)9-6-11-8(3-4-13-11)5-10(9)12/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol?
6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 178.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).