5-ethyl-3-methyl-9H-fluorene

C16H16 — CID 145007072

IUPAC5-ethyl-3-methyl-9H-fluorene
SMILESCCc1cccc2c1-c1cc(C)ccc1C2
InChIInChI=1S/C16H16/c1-3-12-5-4-6-14-10-13-8-7-11(2)9-15(13)16(12)14/h4-9H,3,10H2,1-2H3
InChIKeySZYOBFDCKRPTEM-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.13
Rot. Bonds1

About 5-ethyl-3-methyl-9H-fluorene

5-ethyl-3-methyl-9H-fluorene (PubChem CID 145007072) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-ethyl-3-methyl-9H-fluorene.

Molecular Properties

Compound Name5-ethyl-3-methyl-9H-fluorene
PubChem CID145007072
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name5-ethyl-3-methyl-9H-fluorene
SMILESCCc1cccc2c1-c1cc(C)ccc1C2
InChIInChI=1S/C16H16/c1-3-12-5-4-6-14-10-13-8-7-11(2)9-15(13)16(12)14/h4-9H,3,10H2,1-2H3
InChIKeySZYOBFDCKRPTEM-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-9H-fluorene?
The IUPAC name of 5-ethyl-3-methyl-9H-fluorene (CID 145007072) is 5-ethyl-3-methyl-9H-fluorene.
What is the SMILES notation for 5-ethyl-3-methyl-9H-fluorene?
The canonical SMILES for 5-ethyl-3-methyl-9H-fluorene is CCc1cccc2c1-c1cc(C)ccc1C2.
What is the InChIKey of 5-ethyl-3-methyl-9H-fluorene?
The InChIKey is SZYOBFDCKRPTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-3-12-5-4-6-14-10-13-8-7-11(2)9-15(13)16(12)14/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-9H-fluorene?
5-ethyl-3-methyl-9H-fluorene has a molecular weight of 208.30 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-9H-fluorene is sourced from PubChem (CID 145007072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).