9-[2-(4-chlorophenyl)ethyl]-9H-fluorene

C21H17Cl — CID 122400467

IUPAC9-[2-(4-chlorophenyl)ethyl]-9H-fluorene
SMILESClc1ccc(CCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H17Cl/c22-16-12-9-15(10-13-16)11-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12-13,21H,11,14H2
InChIKeyOYIRWCWLYUASPI-UHFFFAOYSA-N
MW304.82 g/mol
LogP6.09
Rot. Bonds3

About 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene

9-[2-(4-chlorophenyl)ethyl]-9H-fluorene (PubChem CID 122400467) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(4-chlorophenyl)ethyl]-9H-fluorene
PubChem CID122400467
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name9-[2-(4-chlorophenyl)ethyl]-9H-fluorene
SMILESClc1ccc(CCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H17Cl/c22-16-12-9-15(10-13-16)11-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12-13,21H,11,14H2
InChIKeyOYIRWCWLYUASPI-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene?
The IUPAC name of 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene (CID 122400467) is 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene.
What is the SMILES notation for 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene?
The canonical SMILES for 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene is Clc1ccc(CCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene?
The InChIKey is OYIRWCWLYUASPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl/c22-16-12-9-15(10-13-16)11-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12-13,21H,11,14H2.
What are the key properties of 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene?
9-[2-(4-chlorophenyl)ethyl]-9H-fluorene has a molecular weight of 304.82 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-chlorophenyl)ethyl]-9H-fluorene is sourced from PubChem (CID 122400467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).