2-methoxyphenalen-1-one

C14H10O2 — CID 5027250

IUPAC2-methoxyphenalen-1-one
SMILESCOC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C14H10O2/c1-16-12-8-10-6-2-4-9-5-3-7-11(13(9)10)14(12)15/h2-8H,1H3
InChIKeyFMZHCYXNNGLTLF-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.02
Rot. Bonds1

About 2-methoxyphenalen-1-one

2-methoxyphenalen-1-one (PubChem CID 5027250) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methoxyphenalen-1-one.

Molecular Properties

Compound Name2-methoxyphenalen-1-one
PubChem CID5027250
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name2-methoxyphenalen-1-one
SMILESCOC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C14H10O2/c1-16-12-8-10-6-2-4-9-5-3-7-11(13(9)10)14(12)15/h2-8H,1H3
InChIKeyFMZHCYXNNGLTLF-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyphenalen-1-one?
The IUPAC name of 2-methoxyphenalen-1-one (CID 5027250) is 2-methoxyphenalen-1-one.
What is the SMILES notation for 2-methoxyphenalen-1-one?
The canonical SMILES for 2-methoxyphenalen-1-one is COC1=Cc2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-methoxyphenalen-1-one?
The InChIKey is FMZHCYXNNGLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c1-16-12-8-10-6-2-4-9-5-3-7-11(13(9)10)14(12)15/h2-8H,1H3.
What are the key properties of 2-methoxyphenalen-1-one?
2-methoxyphenalen-1-one has a molecular weight of 210.23 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyphenalen-1-one is sourced from PubChem (CID 5027250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).