3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol

C14H20O3 — CID 3275413

IUPAC3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)C(CO)C(C)(C)O2
InChIInChI=1S/C14H20O3/c1-7-8(2)13-11(9(3)12(7)16)10(6-15)14(4,5)17-13/h10,15-16H,6H2,1-5H3
InChIKeyMSIJLGOIJYRGIE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.56
Rot. Bonds1

About 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol

3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol (PubChem CID 3275413) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
PubChem CID3275413
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
SMILESCc1c(C)c2c(c(C)c1O)C(CO)C(C)(C)O2
InChIInChI=1S/C14H20O3/c1-7-8(2)13-11(9(3)12(7)16)10(6-15)14(4,5)17-13/h10,15-16H,6H2,1-5H3
InChIKeyMSIJLGOIJYRGIE-UHFFFAOYSA-N
XLogP2.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The IUPAC name of 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol (CID 3275413) is 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol.
What is the SMILES notation for 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The canonical SMILES for 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol is Cc1c(C)c2c(c(C)c1O)C(CO)C(C)(C)O2.
What is the InChIKey of 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The InChIKey is MSIJLGOIJYRGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-7-8(2)13-11(9(3)12(7)16)10(6-15)14(4,5)17-13/h10,15-16H,6H2,1-5H3.
What are the key properties of 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol has a molecular weight of 236.31 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol is sourced from PubChem (CID 3275413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).