2-(9-hydroxyfluoren-9-yl)propylazanium chloride

C16H18ClNO — CID 27024

IUPAC2-(9-hydroxyfluoren-9-yl)propylazanium chloride
SMILESCC(C[NH3+])C1(O)c2ccccc2-c2ccccc21.[Cl-]
InChIInChI=1S/C16H17NO.ClH/c1-11(10-17)16(18)14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,18H,10,17H2,1H3;1H
InChIKeyXUPWPYBCWADQJN-UHFFFAOYSA-N
MW275.78 g/mol
LogP-1.22
Rot. Bonds2

About 2-(9-hydroxyfluoren-9-yl)propylazanium chloride

2-(9-hydroxyfluoren-9-yl)propylazanium chloride (PubChem CID 27024) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(9-hydroxyfluoren-9-yl)propylazanium chloride.

Molecular Properties

Compound Name2-(9-hydroxyfluoren-9-yl)propylazanium chloride
PubChem CID27024
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(9-hydroxyfluoren-9-yl)propylazanium chloride
SMILESCC(C[NH3+])C1(O)c2ccccc2-c2ccccc21.[Cl-]
InChIInChI=1S/C16H17NO.ClH/c1-11(10-17)16(18)14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,18H,10,17H2,1H3;1H
InChIKeyXUPWPYBCWADQJN-UHFFFAOYSA-N
XLogP-1.22
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(9-hydroxyfluoren-9-yl)propylazanium chloride?
The IUPAC name of 2-(9-hydroxyfluoren-9-yl)propylazanium chloride (CID 27024) is 2-(9-hydroxyfluoren-9-yl)propylazanium chloride.
What is the SMILES notation for 2-(9-hydroxyfluoren-9-yl)propylazanium chloride?
The canonical SMILES for 2-(9-hydroxyfluoren-9-yl)propylazanium chloride is CC(C[NH3+])C1(O)c2ccccc2-c2ccccc21.[Cl-].
What is the InChIKey of 2-(9-hydroxyfluoren-9-yl)propylazanium chloride?
The InChIKey is XUPWPYBCWADQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c1-11(10-17)16(18)14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,18H,10,17H2,1H3;1H.
What are the key properties of 2-(9-hydroxyfluoren-9-yl)propylazanium chloride?
2-(9-hydroxyfluoren-9-yl)propylazanium chloride has a molecular weight of 275.78 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-hydroxyfluoren-9-yl)propylazanium chloride is sourced from PubChem (CID 27024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).