1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol

C12H14N4O2 — CID 107048079

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)C2Cc3ccccc3O2)n1
InChIInChI=1S/C12H14N4O2/c1-16-14-12(13-15-16)7-9(17)11-6-8-4-2-3-5-10(8)18-11/h2-5,9,11,17H,6-7H2,1H3
InChIKeyLFKGUTYCMDCRMS-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.12
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol

1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107048079) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107048079
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)C2Cc3ccccc3O2)n1
InChIInChI=1S/C12H14N4O2/c1-16-14-12(13-15-16)7-9(17)11-6-8-4-2-3-5-10(8)18-11/h2-5,9,11,17H,6-7H2,1H3
InChIKeyLFKGUTYCMDCRMS-UHFFFAOYSA-N
XLogP0.12
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049572
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049477
1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529846
2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 82920238
2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 107049596
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876393
[2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]hydrazine
CID 107066175
1-(4-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047858
3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 114192029
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012035

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107048079) is 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)C2Cc3ccccc3O2)n1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is LFKGUTYCMDCRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-14-12(13-15-16)7-9(17)11-6-8-4-2-3-5-10(8)18-11/h2-5,9,11,17H,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 246.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107048079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).