2,3-dihydrophenalen-1-one

C13H10O — CID 602781

IUPAC2,3-dihydrophenalen-1-one
SMILESO=C1CCc2cccc3cccc1c23
InChIInChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6H,7-8H2
InChIKeyNUCARPFILXBGFK-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.97
Rot. Bonds

About 2,3-dihydrophenalen-1-one

2,3-dihydrophenalen-1-one (PubChem CID 602781) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,3-dihydrophenalen-1-one.

Molecular Properties

Compound Name2,3-dihydrophenalen-1-one
PubChem CID602781
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name2,3-dihydrophenalen-1-one
SMILESO=C1CCc2cccc3cccc1c23
InChIInChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6H,7-8H2
InChIKeyNUCARPFILXBGFK-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrophenalen-1-one?
The IUPAC name of 2,3-dihydrophenalen-1-one (CID 602781) is 2,3-dihydrophenalen-1-one.
What is the SMILES notation for 2,3-dihydrophenalen-1-one?
The canonical SMILES for 2,3-dihydrophenalen-1-one is O=C1CCc2cccc3cccc1c23.
What is the InChIKey of 2,3-dihydrophenalen-1-one?
The InChIKey is NUCARPFILXBGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6H,7-8H2.
What are the key properties of 2,3-dihydrophenalen-1-one?
2,3-dihydrophenalen-1-one has a molecular weight of 182.22 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrophenalen-1-one is sourced from PubChem (CID 602781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).