diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride

C20H22ClNO — CID 16435

IUPACdiethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride
SMILESCC[NH+](CC)CC#CC1(O)c2ccccc2-c2ccccc21.[Cl-]
InChIInChI=1S/C20H21NO.ClH/c1-3-21(4-2)15-9-14-20(22)18-12-7-5-10-16(18)17-11-6-8-13-19(17)20;/h5-8,10-13,22H,3-4,15H2,1-2H3;1H
InChIKeyHRIRJCZRDOKUMZ-UHFFFAOYSA-N
MW327.86 g/mol
LogP-1.16
Rot. Bonds3

About diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride

diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride (PubChem CID 16435) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride
PubChem CID16435
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Namediethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride
SMILESCC[NH+](CC)CC#CC1(O)c2ccccc2-c2ccccc21.[Cl-]
InChIInChI=1S/C20H21NO.ClH/c1-3-21(4-2)15-9-14-20(22)18-12-7-5-10-16(18)17-11-6-8-13-19(17)20;/h5-8,10-13,22H,3-4,15H2,1-2H3;1H
InChIKeyHRIRJCZRDOKUMZ-UHFFFAOYSA-N
XLogP-1.16
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride?
The IUPAC name of diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride (CID 16435) is diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride.
What is the SMILES notation for diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride?
The canonical SMILES for diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride is CC[NH+](CC)CC#CC1(O)c2ccccc2-c2ccccc21.[Cl-].
What is the InChIKey of diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride?
The InChIKey is HRIRJCZRDOKUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c1-3-21(4-2)15-9-14-20(22)18-12-7-5-10-16(18)17-11-6-8-13-19(17)20;/h5-8,10-13,22H,3-4,15H2,1-2H3;1H.
What are the key properties of diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride?
diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride has a molecular weight of 327.86 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-(9-hydroxyfluoren-9-yl)prop-2-ynyl]azanium chloride is sourced from PubChem (CID 16435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).