9-chloro-9-(4-methylsulfanylphenyl)fluorene

C20H15ClS — CID 71401009

IUPAC9-chloro-9-(4-methylsulfanylphenyl)fluorene
SMILESCSc1ccc(C2(Cl)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H15ClS/c1-22-15-12-10-14(11-13-15)20(21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3
InChIKeyYZDQEVFUWOYCJZ-UHFFFAOYSA-N
MW322.86 g/mol
LogP5.92
Rot. Bonds2

About 9-chloro-9-(4-methylsulfanylphenyl)fluorene

9-chloro-9-(4-methylsulfanylphenyl)fluorene (PubChem CID 71401009) has the molecular formula C20H15ClS and a molecular weight of 322.86 g/mol. Its IUPAC name is 9-chloro-9-(4-methylsulfanylphenyl)fluorene.

Molecular Properties

Compound Name9-chloro-9-(4-methylsulfanylphenyl)fluorene
PubChem CID71401009
Molecular FormulaC20H15ClS
Molecular Weight322.86 g/mol
Exact Mass322.06
IUPAC Name9-chloro-9-(4-methylsulfanylphenyl)fluorene
SMILESCSc1ccc(C2(Cl)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H15ClS/c1-22-15-12-10-14(11-13-15)20(21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3
InChIKeyYZDQEVFUWOYCJZ-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.86
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-9-(4-methylsulfanylphenyl)fluorene?
The IUPAC name of 9-chloro-9-(4-methylsulfanylphenyl)fluorene (CID 71401009) is 9-chloro-9-(4-methylsulfanylphenyl)fluorene.
What is the SMILES notation for 9-chloro-9-(4-methylsulfanylphenyl)fluorene?
The canonical SMILES for 9-chloro-9-(4-methylsulfanylphenyl)fluorene is CSc1ccc(C2(Cl)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-chloro-9-(4-methylsulfanylphenyl)fluorene?
The InChIKey is YZDQEVFUWOYCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClS/c1-22-15-12-10-14(11-13-15)20(21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3.
What are the key properties of 9-chloro-9-(4-methylsulfanylphenyl)fluorene?
9-chloro-9-(4-methylsulfanylphenyl)fluorene has a molecular weight of 322.86 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-9-(4-methylsulfanylphenyl)fluorene is sourced from PubChem (CID 71401009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).