1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol

C13H15N3O2 — CID 81444003

IUPAC1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CC2Cc3ccccc3O2)nn1
InChIInChI=1S/C13H15N3O2/c1-9(17)12-8-16(15-14-12)7-11-6-10-4-2-3-5-13(10)18-11/h2-5,8-9,11,17H,6-7H2,1H3
InChIKeyDKQYFEVTUKZUPQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.34
Rot. Bonds3

About 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol (PubChem CID 81444003) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol
PubChem CID81444003
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CC2Cc3ccccc3O2)nn1
InChIInChI=1S/C13H15N3O2/c1-9(17)12-8-16(15-14-12)7-11-6-10-4-2-3-5-13(10)18-11/h2-5,8-9,11,17H,6-7H2,1H3
InChIKeyDKQYFEVTUKZUPQ-UHFFFAOYSA-N
XLogP1.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromoethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazole
CID 66363059
4-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 104539224
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]triazol-4-yl]ethanamine
CID 114419769
4-(1-bromoethyl)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]triazole
CID 81449951
(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359620
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79096943
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol (CID 81444003) is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol is CC(O)c1cn(CC2Cc3ccccc3O2)nn1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is DKQYFEVTUKZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(17)12-8-16(15-14-12)7-11-6-10-4-2-3-5-13(10)18-11/h2-5,8-9,11,17H,6-7H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol?
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol has a molecular weight of 245.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 81444003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).