1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol

C15H15BrN2O2 — CID 106886306

IUPAC1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol
SMILESCCn1nc(CC(O)c2occc2Br)c2ccccc21
InChIInChI=1S/C15H15BrN2O2/c1-2-18-13-6-4-3-5-10(13)12(17-18)9-14(19)15-11(16)7-8-20-15/h3-8,14,19H,2,9H2,1H3
InChIKeyKZSRHQOKGDZRKO-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.69
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol

1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol (PubChem CID 106886306) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol
PubChem CID106886306
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol
SMILESCCn1nc(CC(O)c2occc2Br)c2ccccc21
InChIInChI=1S/C15H15BrN2O2/c1-2-18-13-6-4-3-5-10(13)12(17-18)9-14(19)15-11(16)7-8-20-15/h3-8,14,19H,2,9H2,1H3
InChIKeyKZSRHQOKGDZRKO-UHFFFAOYSA-N
XLogP3.69
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylfuran-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 104800718
1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
CID 106695746
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106886384
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol (CID 106886306) is 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol is CCn1nc(CC(O)c2occc2Br)c2ccccc21.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol?
The InChIKey is KZSRHQOKGDZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-18-13-6-4-3-5-10(13)12(17-18)9-14(19)15-11(16)7-8-20-15/h3-8,14,19H,2,9H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol?
1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol has a molecular weight of 335.20 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol is sourced from PubChem (CID 106886306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).