8-ethyl-2,2-dimethyl-3H-chromen-4-one

C13H16O2 — CID 64698496

IUPAC8-ethyl-2,2-dimethyl-3H-chromen-4-one
SMILESCCc1cccc2c1OC(C)(C)CC2=O
InChIInChI=1S/C13H16O2/c1-4-9-6-5-7-10-11(14)8-13(2,3)15-12(9)10/h5-7H,4,8H2,1-3H3
InChIKeyRNHXZSYWHXKQTB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.99
Rot. Bonds1

About 8-ethyl-2,2-dimethyl-3H-chromen-4-one

8-ethyl-2,2-dimethyl-3H-chromen-4-one (PubChem CID 64698496) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 8-ethyl-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name8-ethyl-2,2-dimethyl-3H-chromen-4-one
PubChem CID64698496
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name8-ethyl-2,2-dimethyl-3H-chromen-4-one
SMILESCCc1cccc2c1OC(C)(C)CC2=O
InChIInChI=1S/C13H16O2/c1-4-9-6-5-7-10-11(14)8-13(2,3)15-12(9)10/h5-7H,4,8H2,1-3H3
InChIKeyRNHXZSYWHXKQTB-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 8-ethyl-2,2-dimethyl-3H-chromen-4-one (CID 64698496) is 8-ethyl-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 8-ethyl-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 8-ethyl-2,2-dimethyl-3H-chromen-4-one is CCc1cccc2c1OC(C)(C)CC2=O.
What is the InChIKey of 8-ethyl-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is RNHXZSYWHXKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-9-6-5-7-10-11(14)8-13(2,3)15-12(9)10/h5-7H,4,8H2,1-3H3.
What are the key properties of 8-ethyl-2,2-dimethyl-3H-chromen-4-one?
8-ethyl-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 64698496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).