2-methylphenalen-1-one

C14H10O — CID 15695099

IUPAC2-methylphenalen-1-one
SMILESCC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C14H10O/c1-9-8-11-6-2-4-10-5-3-7-12(13(10)11)14(9)15/h2-8H,1H3
InChIKeyYOEANOJWCHTUGJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP3.44
Rot. Bonds

About 2-methylphenalen-1-one

2-methylphenalen-1-one (PubChem CID 15695099) has the molecular formula C14H10O and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methylphenalen-1-one.

Molecular Properties

Compound Name2-methylphenalen-1-one
PubChem CID15695099
Molecular FormulaC14H10O
Molecular Weight194.23 g/mol
Exact Mass194.07
IUPAC Name2-methylphenalen-1-one
SMILESCC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C14H10O/c1-9-8-11-6-2-4-10-5-3-7-12(13(10)11)14(9)15/h2-8H,1H3
InChIKeyYOEANOJWCHTUGJ-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylphenalen-1-one?
The IUPAC name of 2-methylphenalen-1-one (CID 15695099) is 2-methylphenalen-1-one.
What is the SMILES notation for 2-methylphenalen-1-one?
The canonical SMILES for 2-methylphenalen-1-one is CC1=Cc2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-methylphenalen-1-one?
The InChIKey is YOEANOJWCHTUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O/c1-9-8-11-6-2-4-10-5-3-7-12(13(10)11)14(9)15/h2-8H,1H3.
What are the key properties of 2-methylphenalen-1-one?
2-methylphenalen-1-one has a molecular weight of 194.23 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphenalen-1-one is sourced from PubChem (CID 15695099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).