1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol

C16H14ClFN2O — CID 115815135

IUPAC1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
SMILESCn1nc(CC(O)c2cccc(F)c2Cl)c2ccccc21
InChIInChI=1S/C16H14ClFN2O/c1-20-14-8-3-2-5-10(14)13(19-20)9-15(21)11-6-4-7-12(18)16(11)17/h2-8,15,21H,9H2,1H3
InChIKeyIPWAKFZEYHYXHI-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol

1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol (PubChem CID 115815135) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
PubChem CID115815135
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
SMILESCn1nc(CC(O)c2cccc(F)c2Cl)c2ccccc21
InChIInChI=1S/C16H14ClFN2O/c1-20-14-8-3-2-5-10(14)13(19-20)9-15(21)11-6-4-7-12(18)16(11)17/h2-8,15,21H,9H2,1H3
InChIKeyIPWAKFZEYHYXHI-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 107124921
3-[3-chloro-2-(2-chlorophenyl)propyl]-1-methylindazole
CID 79437567
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099
1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
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2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103129098
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
1-(3-methylfuran-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 104800718
3-[3-chloro-2-(2-methylphenyl)propyl]-1-methylindazole
CID 79424447
1-(6-methoxypyridazin-3-yl)-2-(1-methylindazol-3-yl)ethanol
CID 103373474
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 106692423
2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431437

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol (CID 115815135) is 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol is Cn1nc(CC(O)c2cccc(F)c2Cl)c2ccccc21.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol?
The InChIKey is IPWAKFZEYHYXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-20-14-8-3-2-5-10(14)13(19-20)9-15(21)11-6-4-7-12(18)16(11)17/h2-8,15,21H,9H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol?
1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol has a molecular weight of 304.75 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol is sourced from PubChem (CID 115815135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).