2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol

C14H18O3 — CID 163210386

IUPAC2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol
SMILESC=C(C)COc1ccc(O)c2c1CC(C)(C)O2
InChIInChI=1S/C14H18O3/c1-9(2)8-16-12-6-5-11(15)13-10(12)7-14(3,4)17-13/h5-6,15H,1,7-8H2,2-4H3
InChIKeyYYAFOKDHAYMRKX-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.06
Rot. Bonds3

About 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol

2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol (PubChem CID 163210386) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol
PubChem CID163210386
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol
SMILESC=C(C)COc1ccc(O)c2c1CC(C)(C)O2
InChIInChI=1S/C14H18O3/c1-9(2)8-16-12-6-5-11(15)13-10(12)7-14(3,4)17-13/h5-6,15H,1,7-8H2,2-4H3
InChIKeyYYAFOKDHAYMRKX-UHFFFAOYSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol?
The IUPAC name of 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol (CID 163210386) is 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol?
The canonical SMILES for 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol is C=C(C)COc1ccc(O)c2c1CC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol?
The InChIKey is YYAFOKDHAYMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(2)8-16-12-6-5-11(15)13-10(12)7-14(3,4)17-13/h5-6,15H,1,7-8H2,2-4H3.
What are the key properties of 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol?
2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol has a molecular weight of 234.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylprop-2-enoxy)-3H-1-benzofuran-7-ol is sourced from PubChem (CID 163210386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).