2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol

C19H19NO4 — CID 15170266

IUPAC2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCc1ccc2oc3ccc4occc4c3c2c1
InChIInChI=1S/C19H19NO4/c1-19(10-21,11-22)20-9-12-2-3-16-14(8-12)18-13-6-7-23-15(13)4-5-17(18)24-16/h2-8,20-22H,9-11H2,1H3
InChIKeyNHCDDPRZEZBFRG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.17
Rot. Bonds5

About 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol

2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol (PubChem CID 15170266) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol
PubChem CID15170266
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCc1ccc2oc3ccc4occc4c3c2c1
InChIInChI=1S/C19H19NO4/c1-19(10-21,11-22)20-9-12-2-3-16-14(8-12)18-13-6-7-23-15(13)4-5-17(18)24-16/h2-8,20-22H,9-11H2,1H3
InChIKeyNHCDDPRZEZBFRG-UHFFFAOYSA-N
XLogP3.17
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol?
The IUPAC name of 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol (CID 15170266) is 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol is CC(CO)(CO)NCc1ccc2oc3ccc4occc4c3c2c1.
What is the InChIKey of 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol?
The InChIKey is NHCDDPRZEZBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(10-21,11-22)20-9-12-2-3-16-14(8-12)18-13-6-7-23-15(13)4-5-17(18)24-16/h2-8,20-22H,9-11H2,1H3.
What are the key properties of 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol?
2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol has a molecular weight of 325.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol is sourced from PubChem (CID 15170266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).