3-methylfluoranthene

C17H12 — CID 15565

IUPAC3-methylfluoranthene
SMILESCc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3
InChIKeyXHJKUHDKEFRGSK-UHFFFAOYSA-N
MW216.28 g/mol
LogP4.80
Rot. Bonds

About 3-methylfluoranthene

3-methylfluoranthene (PubChem CID 15565) has the molecular formula C17H12 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methylfluoranthene.

Molecular Properties

Compound Name3-methylfluoranthene
PubChem CID15565
Molecular FormulaC17H12
Molecular Weight216.28 g/mol
Exact Mass216.09
IUPAC Name3-methylfluoranthene
SMILESCc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3
InChIKeyXHJKUHDKEFRGSK-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylfluoranthene?
The IUPAC name of 3-methylfluoranthene (CID 15565) is 3-methylfluoranthene.
What is the SMILES notation for 3-methylfluoranthene?
The canonical SMILES for 3-methylfluoranthene is Cc1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-methylfluoranthene?
The InChIKey is XHJKUHDKEFRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3.
What are the key properties of 3-methylfluoranthene?
3-methylfluoranthene has a molecular weight of 216.28 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfluoranthene is sourced from PubChem (CID 15565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).