1-(2-methylpropyl)-9H-fluorene

C17H18 — CID 87557268

IUPAC1-(2-methylpropyl)-9H-fluorene
SMILESCC(C)Cc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H18/c1-12(2)10-13-7-5-9-16-15-8-4-3-6-14(15)11-17(13)16/h3-9,12H,10-11H2,1-2H3
InChIKeyJSESLGVOWSWBSB-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.46
Rot. Bonds2

About 1-(2-methylpropyl)-9H-fluorene

1-(2-methylpropyl)-9H-fluorene (PubChem CID 87557268) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-9H-fluorene.

Molecular Properties

Compound Name1-(2-methylpropyl)-9H-fluorene
PubChem CID87557268
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-(2-methylpropyl)-9H-fluorene
SMILESCC(C)Cc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H18/c1-12(2)10-13-7-5-9-16-15-8-4-3-6-14(15)11-17(13)16/h3-9,12H,10-11H2,1-2H3
InChIKeyJSESLGVOWSWBSB-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-9H-fluorene?
The IUPAC name of 1-(2-methylpropyl)-9H-fluorene (CID 87557268) is 1-(2-methylpropyl)-9H-fluorene.
What is the SMILES notation for 1-(2-methylpropyl)-9H-fluorene?
The canonical SMILES for 1-(2-methylpropyl)-9H-fluorene is CC(C)Cc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-(2-methylpropyl)-9H-fluorene?
The InChIKey is JSESLGVOWSWBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-12(2)10-13-7-5-9-16-15-8-4-3-6-14(15)11-17(13)16/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-9H-fluorene?
1-(2-methylpropyl)-9H-fluorene has a molecular weight of 222.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-9H-fluorene is sourced from PubChem (CID 87557268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).