2-chloro-9-(2-phenylethyl)-9H-fluorene

C21H17Cl — CID 122400462

IUPAC2-chloro-9-(2-phenylethyl)-9H-fluorene
SMILESClc1ccc2c(c1)C(CCc1ccccc1)c1ccccc1-2
InChIInChI=1S/C21H17Cl/c22-16-11-13-20-18-9-5-4-8-17(18)19(21(20)14-16)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19H,10,12H2
InChIKeyPPWMONJGEUYISY-UHFFFAOYSA-N
MW304.82 g/mol
LogP6.09
Rot. Bonds3

About 2-chloro-9-(2-phenylethyl)-9H-fluorene

2-chloro-9-(2-phenylethyl)-9H-fluorene (PubChem CID 122400462) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-chloro-9-(2-phenylethyl)-9H-fluorene.

Molecular Properties

Compound Name2-chloro-9-(2-phenylethyl)-9H-fluorene
PubChem CID122400462
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name2-chloro-9-(2-phenylethyl)-9H-fluorene
SMILESClc1ccc2c(c1)C(CCc1ccccc1)c1ccccc1-2
InChIInChI=1S/C21H17Cl/c22-16-11-13-20-18-9-5-4-8-17(18)19(21(20)14-16)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19H,10,12H2
InChIKeyPPWMONJGEUYISY-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 2-chloro-9-(2-phenylethyl)-9H-fluorene?
The IUPAC name of 2-chloro-9-(2-phenylethyl)-9H-fluorene (CID 122400462) is 2-chloro-9-(2-phenylethyl)-9H-fluorene.
What is the SMILES notation for 2-chloro-9-(2-phenylethyl)-9H-fluorene?
The canonical SMILES for 2-chloro-9-(2-phenylethyl)-9H-fluorene is Clc1ccc2c(c1)C(CCc1ccccc1)c1ccccc1-2.
What is the InChIKey of 2-chloro-9-(2-phenylethyl)-9H-fluorene?
The InChIKey is PPWMONJGEUYISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl/c22-16-11-13-20-18-9-5-4-8-17(18)19(21(20)14-16)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19H,10,12H2.
What are the key properties of 2-chloro-9-(2-phenylethyl)-9H-fluorene?
2-chloro-9-(2-phenylethyl)-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 2-chloro-9-(2-phenylethyl)-9H-fluorene is sourced from PubChem (CID 122400462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).