2-methyl-6-(2-methylpropyl)-4H-chromen-3-one

C14H18O2 — CID 159015527

IUPAC2-methyl-6-(2-methylpropyl)-4H-chromen-3-one
SMILESCC(C)Cc1ccc2c(c1)CC(=O)C(C)O2
InChIInChI=1S/C14H18O2/c1-9(2)6-11-4-5-14-12(7-11)8-13(15)10(3)16-14/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyVZPMZIBIDQWMKH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.78
Rot. Bonds2

About 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one

2-methyl-6-(2-methylpropyl)-4H-chromen-3-one (PubChem CID 159015527) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropyl)-4H-chromen-3-one
PubChem CID159015527
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-methyl-6-(2-methylpropyl)-4H-chromen-3-one
SMILESCC(C)Cc1ccc2c(c1)CC(=O)C(C)O2
InChIInChI=1S/C14H18O2/c1-9(2)6-11-4-5-14-12(7-11)8-13(15)10(3)16-14/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyVZPMZIBIDQWMKH-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one?
The IUPAC name of 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one (CID 159015527) is 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one.
What is the SMILES notation for 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one?
The canonical SMILES for 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one is CC(C)Cc1ccc2c(c1)CC(=O)C(C)O2.
What is the InChIKey of 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one?
The InChIKey is VZPMZIBIDQWMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9(2)6-11-4-5-14-12(7-11)8-13(15)10(3)16-14/h4-5,7,9-10H,6,8H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one?
2-methyl-6-(2-methylpropyl)-4H-chromen-3-one has a molecular weight of 218.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropyl)-4H-chromen-3-one is sourced from PubChem (CID 159015527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).