2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol

C18H16ClF3N2O — CID 69380426

IUPAC2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol
SMILESCc1cc(Cl)ccc1Cn1nc(CCO)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H16ClF3N2O/c1-11-8-14(19)4-2-12(11)10-24-17-9-13(18(20,21)22)3-5-15(17)16(23-24)6-7-25/h2-5,8-9,25H,6-7,10H2,1H3
InChIKeyWYSOWTMVZVFIFE-UHFFFAOYSA-N
MW368.79 g/mol
LogP4.60
Rot. Bonds4

About 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol

2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol (PubChem CID 69380426) has the molecular formula C18H16ClF3N2O and a molecular weight of 368.79 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol
PubChem CID69380426
Molecular FormulaC18H16ClF3N2O
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC Name2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol
SMILESCc1cc(Cl)ccc1Cn1nc(CCO)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H16ClF3N2O/c1-11-8-14(19)4-2-12(11)10-24-17-9-13(18(20,21)22)3-5-15(17)16(23-24)6-7-25/h2-5,8-9,25H,6-7,10H2,1H3
InChIKeyWYSOWTMVZVFIFE-UHFFFAOYSA-N
XLogP4.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol?
The IUPAC name of 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol (CID 69380426) is 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol is Cc1cc(Cl)ccc1Cn1nc(CCO)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol?
The InChIKey is WYSOWTMVZVFIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O/c1-11-8-14(19)4-2-12(11)10-24-17-9-13(18(20,21)22)3-5-15(17)16(23-24)6-7-25/h2-5,8-9,25H,6-7,10H2,1H3.
What are the key properties of 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol?
2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol has a molecular weight of 368.79 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]ethanol is sourced from PubChem (CID 69380426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).