3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol

C16H25NO2 — CID 10467947

IUPAC3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)C(CN(C)C)C(C)(C)O2
InChIInChI=1S/C16H25NO2/c1-9-10(2)15-13(11(3)14(9)18)12(8-17(6)7)16(4,5)19-15/h12,18H,8H2,1-7H3
InChIKeyRUQLJSWBLYIYAW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds2

About 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol

3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol (PubChem CID 10467947) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
PubChem CID10467947
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)C(CN(C)C)C(C)(C)O2
InChIInChI=1S/C16H25NO2/c1-9-10(2)15-13(11(3)14(9)18)12(8-17(6)7)16(4,5)19-15/h12,18H,8H2,1-7H3
InChIKeyRUQLJSWBLYIYAW-UHFFFAOYSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol (CID 10467947) is 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol is Cc1c(C)c2c(c(C)c1O)C(CN(C)C)C(C)(C)O2.
What is the InChIKey of 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The InChIKey is RUQLJSWBLYIYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-9-10(2)15-13(11(3)14(9)18)12(8-17(6)7)16(4,5)19-15/h12,18H,8H2,1-7H3.
What are the key properties of 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol has a molecular weight of 263.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol is sourced from PubChem (CID 10467947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).