2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one

C20H20O2 — CID 10637400

IUPAC2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one
SMILESCC(C)=Cc1cc(C)c2ccc(C)c3c2c1C(C)=C(O)C3=O
InChIInChI=1S/C20H20O2/c1-10(2)8-14-9-12(4)15-7-6-11(3)16-18(15)17(14)13(5)19(21)20(16)22/h6-9,21H,1-5H3
InChIKeyQPEDAMHNYYMCLK-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.37
Rot. Bonds1

About 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one

2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one (PubChem CID 10637400) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one.

Molecular Properties

Compound Name2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one
PubChem CID10637400
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one
SMILESCC(C)=Cc1cc(C)c2ccc(C)c3c2c1C(C)=C(O)C3=O
InChIInChI=1S/C20H20O2/c1-10(2)8-14-9-12(4)15-7-6-11(3)16-18(15)17(14)13(5)19(21)20(16)22/h6-9,21H,1-5H3
InChIKeyQPEDAMHNYYMCLK-UHFFFAOYSA-N
XLogP5.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one?
The IUPAC name of 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one (CID 10637400) is 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one.
What is the SMILES notation for 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one?
The canonical SMILES for 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one is CC(C)=Cc1cc(C)c2ccc(C)c3c2c1C(C)=C(O)C3=O.
What is the InChIKey of 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one?
The InChIKey is QPEDAMHNYYMCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-10(2)8-14-9-12(4)15-7-6-11(3)16-18(15)17(14)13(5)19(21)20(16)22/h6-9,21H,1-5H3.
What are the key properties of 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one?
2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one has a molecular weight of 292.38 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)phenalen-1-one is sourced from PubChem (CID 10637400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).