1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol

C10H10O2 — CID 175717148

IUPAC1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol
SMILES[2H]c1cc([2H])c2cc(C(C)O)oc2c1
InChIInChI=1S/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3/i3D,4D
InChIKeySCLFEKBHGKCUPA-NMQOAUCRSA-N
MW164.20 g/mol
LogP2.49
Rot. Bonds1

About 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol

1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol (PubChem CID 175717148) has the molecular formula C10H10O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol
PubChem CID175717148
Molecular FormulaC10H10O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol
SMILES[2H]c1cc([2H])c2cc(C(C)O)oc2c1
InChIInChI=1S/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3/i3D,4D
InChIKeySCLFEKBHGKCUPA-NMQOAUCRSA-N
XLogP2.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran
CID 175717154
3-(1-hydroxyethyl)isochromen-1-one
CID 11171487
3,4,5,6-tetradeuterio-2-(1-fluoroethyl)-1-benzofuran
CID 175717219
1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
CID 114726943
1-(5,7-difluoro-1-benzofuran-2-yl)ethanol
CID 65438966
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)but-2-en-1-ol
CID 150085441
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
2-butan-2-yl-1-benzofuran
CID 12065919

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol (CID 175717148) is 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol is [2H]c1cc([2H])c2cc(C(C)O)oc2c1.
What is the InChIKey of 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol?
The InChIKey is SCLFEKBHGKCUPA-NMQOAUCRSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3/i3D,4D.
What are the key properties of 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol?
1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol has a molecular weight of 164.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 175717148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).