7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one

C16H20O3 — CID 144577707

IUPAC7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one
SMILESCCC(C)(C)c1oc2c(C)c(O)ccc2c(=O)c1C
InChIInChI=1S/C16H20O3/c1-6-16(4,5)15-10(3)13(18)11-7-8-12(17)9(2)14(11)19-15/h7-8,17H,6H2,1-5H3
InChIKeyAPUDLPFHIZOJRU-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.80
Rot. Bonds2

About 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one

7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one (PubChem CID 144577707) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one
PubChem CID144577707
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one
SMILESCCC(C)(C)c1oc2c(C)c(O)ccc2c(=O)c1C
InChIInChI=1S/C16H20O3/c1-6-16(4,5)15-10(3)13(18)11-7-8-12(17)9(2)14(11)19-15/h7-8,17H,6H2,1-5H3
InChIKeyAPUDLPFHIZOJRU-UHFFFAOYSA-N
XLogP3.80
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one (CID 144577707) is 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one is CCC(C)(C)c1oc2c(C)c(O)ccc2c(=O)c1C.
What is the InChIKey of 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one?
The InChIKey is APUDLPFHIZOJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-6-16(4,5)15-10(3)13(18)11-7-8-12(17)9(2)14(11)19-15/h7-8,17H,6H2,1-5H3.
What are the key properties of 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one?
7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one has a molecular weight of 260.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,8-dimethyl-2-(2-methylbutan-2-yl)chromen-4-one is sourced from PubChem (CID 144577707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).