3-propan-2-ylfluoranthene

C19H16 — CID 20607613

IUPAC3-propan-2-ylfluoranthene
SMILESCC(C)c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C19H16/c1-12(2)13-10-11-18-15-7-4-3-6-14(15)17-9-5-8-16(13)19(17)18/h3-12H,1-2H3
InChIKeyQSKJTEJLVJYXII-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.61
Rot. Bonds1

About 3-propan-2-ylfluoranthene

3-propan-2-ylfluoranthene (PubChem CID 20607613) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-propan-2-ylfluoranthene.

Molecular Properties

Compound Name3-propan-2-ylfluoranthene
PubChem CID20607613
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name3-propan-2-ylfluoranthene
SMILESCC(C)c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C19H16/c1-12(2)13-10-11-18-15-7-4-3-6-14(15)17-9-5-8-16(13)19(17)18/h3-12H,1-2H3
InChIKeyQSKJTEJLVJYXII-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 126542964
3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
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4,9-di(propan-2-yl)pyrene
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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylfluoranthene?
The IUPAC name of 3-propan-2-ylfluoranthene (CID 20607613) is 3-propan-2-ylfluoranthene.
What is the SMILES notation for 3-propan-2-ylfluoranthene?
The canonical SMILES for 3-propan-2-ylfluoranthene is CC(C)c1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-propan-2-ylfluoranthene?
The InChIKey is QSKJTEJLVJYXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-12(2)13-10-11-18-15-7-4-3-6-14(15)17-9-5-8-16(13)19(17)18/h3-12H,1-2H3.
What are the key properties of 3-propan-2-ylfluoranthene?
3-propan-2-ylfluoranthene has a molecular weight of 244.34 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylfluoranthene is sourced from PubChem (CID 20607613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).