(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol

C11H14O2 — CID 2795472

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol
SMILESCC1(C)Cc2cccc(CO)c2O1
InChIInChI=1S/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3
InChIKeyLKFXMRFTJVYQMT-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.89
Rot. Bonds1

About (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol

(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol (PubChem CID 2795472) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol
PubChem CID2795472
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol
SMILESCC1(C)Cc2cccc(CO)c2O1
InChIInChI=1S/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3
InChIKeyLKFXMRFTJVYQMT-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol (CID 2795472) is (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol is CC1(C)Cc2cccc(CO)c2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol?
The InChIKey is LKFXMRFTJVYQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol?
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol has a molecular weight of 178.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-7-yl)methanol is sourced from PubChem (CID 2795472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).