3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol

C16H11ClF3NO3 — CID 90879987

IUPAC3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol
SMILESCOc1ccc(Cl)cc1-c1c(O)n(O)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)14-10-4-2-8(16(18,19)20)6-12(10)21(23)15(14)22/h2-7,22-23H,1H3
InChIKeyXGRKGXCWGDXGKD-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.93
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol

3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol (PubChem CID 90879987) has the molecular formula C16H11ClF3NO3 and a molecular weight of 357.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol
PubChem CID90879987
Molecular FormulaC16H11ClF3NO3
Molecular Weight357.72 g/mol
Exact Mass357.04
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol
SMILESCOc1ccc(Cl)cc1-c1c(O)n(O)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)14-10-4-2-8(16(18,19)20)6-12(10)21(23)15(14)22/h2-7,22-23H,1H3
InChIKeyXGRKGXCWGDXGKD-UHFFFAOYSA-N
XLogP4.93
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one
CID 158682860
4-(5-chloro-2-methoxyphenyl)-3-[(E)-3-hydroxyprop-1-enyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 58805410
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
CID 53219739
3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one
CID 163926560
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
CID 54229322
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683
4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol (CID 90879987) is 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol is COc1ccc(Cl)cc1-c1c(O)n(O)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol?
The InChIKey is XGRKGXCWGDXGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)14-10-4-2-8(16(18,19)20)6-12(10)21(23)15(14)22/h2-7,22-23H,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol?
3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol has a molecular weight of 357.72 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol is sourced from PubChem (CID 90879987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).