[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol

C16H21NO5 — CID 22180813

IUPAC[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol
SMILESCOc1cc(CO)c2cc(CN3CCOCC3)oc2c1OC
InChIInChI=1S/C16H21NO5/c1-19-14-7-11(10-18)13-8-12(22-15(13)16(14)20-2)9-17-3-5-21-6-4-17/h7-8,18H,3-6,9-10H2,1-2H3
InChIKeyGXFFESPLQUTHBX-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.77
Rot. Bonds5

About [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol

[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol (PubChem CID 22180813) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol.

Molecular Properties

Compound Name[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol
PubChem CID22180813
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol
SMILESCOc1cc(CO)c2cc(CN3CCOCC3)oc2c1OC
InChIInChI=1S/C16H21NO5/c1-19-14-7-11(10-18)13-8-12(22-15(13)16(14)20-2)9-17-3-5-21-6-4-17/h7-8,18H,3-6,9-10H2,1-2H3
InChIKeyGXFFESPLQUTHBX-UHFFFAOYSA-N
XLogP1.77
TPSA64.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol?
The IUPAC name of [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol (CID 22180813) is [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol.
What is the SMILES notation for [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol?
The canonical SMILES for [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol is COc1cc(CO)c2cc(CN3CCOCC3)oc2c1OC.
What is the InChIKey of [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol?
The InChIKey is GXFFESPLQUTHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-19-14-7-11(10-18)13-8-12(22-15(13)16(14)20-2)9-17-3-5-21-6-4-17/h7-8,18H,3-6,9-10H2,1-2H3.
What are the key properties of [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol?
[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol has a molecular weight of 307.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dimethoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-4-yl]methanol is sourced from PubChem (CID 22180813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).