[4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol

C20H21N3O4 — CID 102140865

IUPAC[4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESCOc1ccc2c(c1OCc1cn(Cc3ccccc3)nn1)CC(CO)O2
InChIInChI=1S/C20H21N3O4/c1-25-19-8-7-18-17(9-16(12-24)27-18)20(19)26-13-15-11-23(22-21-15)10-14-5-3-2-4-6-14/h2-8,11,16,24H,9-10,12-13H2,1H3
InChIKeyKMSIEWHOSDEEBY-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.21
Rot. Bonds7

About [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol

[4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 102140865) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID102140865
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name[4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESCOc1ccc2c(c1OCc1cn(Cc3ccccc3)nn1)CC(CO)O2
InChIInChI=1S/C20H21N3O4/c1-25-19-8-7-18-17(9-16(12-24)27-18)20(19)26-13-15-11-23(22-21-15)10-14-5-3-2-4-6-14/h2-8,11,16,24H,9-10,12-13H2,1H3
InChIKeyKMSIEWHOSDEEBY-UHFFFAOYSA-N
XLogP2.21
TPSA78.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 102140865) is [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol is COc1ccc2c(c1OCc1cn(Cc3ccccc3)nn1)CC(CO)O2.
What is the InChIKey of [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is KMSIEWHOSDEEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-19-8-7-18-17(9-16(12-24)27-18)20(19)26-13-15-11-23(22-21-15)10-14-5-3-2-4-6-14/h2-8,11,16,24H,9-10,12-13H2,1H3.
What are the key properties of [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol?
[4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 367.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-benzyltriazol-4-yl)methoxy]-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 102140865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).