1,3,3-trimethyl-2-benzofuran-1-ol

C11H14O2 — CID 589326

IUPAC1,3,3-trimethyl-2-benzofuran-1-ol
SMILESCC1(C)OC(C)(O)c2ccccc21
InChIInChI=1S/C11H14O2/c1-10(2)8-6-4-5-7-9(8)11(3,12)13-10/h4-7,12H,1-3H3
InChIKeyWWCURPMSGMIINM-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.12
Rot. Bonds

About 1,3,3-trimethyl-2-benzofuran-1-ol

1,3,3-trimethyl-2-benzofuran-1-ol (PubChem CID 589326) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-benzofuran-1-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-benzofuran-1-ol
PubChem CID589326
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1,3,3-trimethyl-2-benzofuran-1-ol
SMILESCC1(C)OC(C)(O)c2ccccc21
InChIInChI=1S/C11H14O2/c1-10(2)8-6-4-5-7-9(8)11(3,12)13-10/h4-7,12H,1-3H3
InChIKeyWWCURPMSGMIINM-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-benzofuran-1-ol?
The IUPAC name of 1,3,3-trimethyl-2-benzofuran-1-ol (CID 589326) is 1,3,3-trimethyl-2-benzofuran-1-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-benzofuran-1-ol?
The canonical SMILES for 1,3,3-trimethyl-2-benzofuran-1-ol is CC1(C)OC(C)(O)c2ccccc21.
What is the InChIKey of 1,3,3-trimethyl-2-benzofuran-1-ol?
The InChIKey is WWCURPMSGMIINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-10(2)8-6-4-5-7-9(8)11(3,12)13-10/h4-7,12H,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-benzofuran-1-ol?
1,3,3-trimethyl-2-benzofuran-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-benzofuran-1-ol is sourced from PubChem (CID 589326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).