7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one

C15H20O4 — CID 22158840

IUPAC7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
SMILESCCC(C)Oc1ccc2c(c1O)OC(C)(C)CC2=O
InChIInChI=1S/C15H20O4/c1-5-9(2)18-12-7-6-10-11(16)8-15(3,4)19-14(10)13(12)17/h6-7,9,17H,5,8H2,1-4H3
InChIKeyKFUQFWVUXKQBEA-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.31
Rot. Bonds3

About 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one

7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one (PubChem CID 22158840) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
PubChem CID22158840
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
SMILESCCC(C)Oc1ccc2c(c1O)OC(C)(C)CC2=O
InChIInChI=1S/C15H20O4/c1-5-9(2)18-12-7-6-10-11(16)8-15(3,4)19-14(10)13(12)17/h6-7,9,17H,5,8H2,1-4H3
InChIKeyKFUQFWVUXKQBEA-UHFFFAOYSA-N
XLogP3.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one (CID 22158840) is 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one is CCC(C)Oc1ccc2c(c1O)OC(C)(C)CC2=O.
What is the InChIKey of 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is KFUQFWVUXKQBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-9(2)18-12-7-6-10-11(16)8-15(3,4)19-14(10)13(12)17/h6-7,9,17H,5,8H2,1-4H3.
What are the key properties of 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one?
7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 264.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 22158840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).