2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol

C17H20F3NO3S — CID 143476565

IUPAC2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol
SMILESCCc1cc(Sc2ccc(C(F)(F)F)cc2)cc(NOC)c1O.CO
InChIInChI=1S/C16H16F3NO2S.CH4O/c1-3-10-8-13(9-14(15(10)21)20-22-2)23-12-6-4-11(5-7-12)16(17,18)19;1-2/h4-9,20-21H,3H2,1-2H3;2H,1H3
InChIKeyBKEAYPZKIORNPV-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.71
Rot. Bonds5

About 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol

2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol (PubChem CID 143476565) has the molecular formula C17H20F3NO3S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol.

Molecular Properties

Compound Name2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol
PubChem CID143476565
Molecular FormulaC17H20F3NO3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC Name2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol
SMILESCCc1cc(Sc2ccc(C(F)(F)F)cc2)cc(NOC)c1O.CO
InChIInChI=1S/C16H16F3NO2S.CH4O/c1-3-10-8-13(9-14(15(10)21)20-22-2)23-12-6-4-11(5-7-12)16(17,18)19;1-2/h4-9,20-21H,3H2,1-2H3;2H,1H3
InChIKeyBKEAYPZKIORNPV-UHFFFAOYSA-N
XLogP4.71
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol?
The IUPAC name of 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol (CID 143476565) is 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol.
What is the SMILES notation for 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol?
The canonical SMILES for 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol is CCc1cc(Sc2ccc(C(F)(F)F)cc2)cc(NOC)c1O.CO.
What is the InChIKey of 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol?
The InChIKey is BKEAYPZKIORNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S.CH4O/c1-3-10-8-13(9-14(15(10)21)20-22-2)23-12-6-4-11(5-7-12)16(17,18)19;1-2/h4-9,20-21H,3H2,1-2H3;2H,1H3.
What are the key properties of 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol?
2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol has a molecular weight of 375.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(methoxyamino)-4-[4-(trifluoromethyl)phenyl]sulfanylphenol;methanol is sourced from PubChem (CID 143476565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).