9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride

C21H24ClNO — CID 11958721

IUPAC9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride
SMILESCCN(CC)CC#CCC1(O)c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C21H23NO.ClH/c1-3-22(4-2)16-10-9-15-21(23)19-13-7-5-11-17(19)18-12-6-8-14-20(18)21;/h5-8,11-14,23H,3-4,15-16H2,1-2H3;1H
InChIKeySPTVBDVENUFVPH-UHFFFAOYSA-N
MW341.88 g/mol
LogP4.06
Rot. Bonds4

About 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride

9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride (PubChem CID 11958721) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride.

Molecular Properties

Compound Name9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride
PubChem CID11958721
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride
SMILESCCN(CC)CC#CCC1(O)c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C21H23NO.ClH/c1-3-22(4-2)16-10-9-15-21(23)19-13-7-5-11-17(19)18-12-6-8-14-20(18)21;/h5-8,11-14,23H,3-4,15-16H2,1-2H3;1H
InChIKeySPTVBDVENUFVPH-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride?
The IUPAC name of 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride (CID 11958721) is 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride.
What is the SMILES notation for 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride?
The canonical SMILES for 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride is CCN(CC)CC#CCC1(O)c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride?
The InChIKey is SPTVBDVENUFVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.ClH/c1-3-22(4-2)16-10-9-15-21(23)19-13-7-5-11-17(19)18-12-6-8-14-20(18)21;/h5-8,11-14,23H,3-4,15-16H2,1-2H3;1H.
What are the key properties of 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride?
9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(diethylamino)but-2-ynyl]fluoren-9-ol;hydrochloride is sourced from PubChem (CID 11958721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).