1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol

C16H22O3 — CID 65438398

IUPAC1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol
SMILESCOCCc1ccc2oc(C(O)C(C)(C)C)cc2c1
InChIInChI=1S/C16H22O3/c1-16(2,3)15(17)14-10-12-9-11(7-8-18-4)5-6-13(12)19-14/h5-6,9-10,15,17H,7-8H2,1-4H3
InChIKeyVNNQMSGTNMWQQC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.70
Rot. Bonds4

About 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol

1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol (PubChem CID 65438398) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol
PubChem CID65438398
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol
SMILESCOCCc1ccc2oc(C(O)C(C)(C)C)cc2c1
InChIInChI=1S/C16H22O3/c1-16(2,3)15(17)14-10-12-9-11(7-8-18-4)5-6-13(12)19-14/h5-6,9-10,15,17H,7-8H2,1-4H3
InChIKeyVNNQMSGTNMWQQC-UHFFFAOYSA-N
XLogP3.70
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol (CID 65438398) is 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol is COCCc1ccc2oc(C(O)C(C)(C)C)cc2c1.
What is the InChIKey of 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is VNNQMSGTNMWQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-16(2,3)15(17)14-10-12-9-11(7-8-18-4)5-6-13(12)19-14/h5-6,9-10,15,17H,7-8H2,1-4H3.
What are the key properties of 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol?
1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 65438398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).