[2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate

C15H16O4 — CID 15172603

IUPAC[2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1ccc2c(c1)C=CC(C)(C)O2
InChIInChI=1S/C15H16O4/c1-10(16)18-9-13(17)11-4-5-14-12(8-11)6-7-15(2,3)19-14/h4-8H,9H2,1-3H3
InChIKeyLORIDAQKSAOIRR-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.62
Rot. Bonds3

About [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate

[2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate (PubChem CID 15172603) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate
PubChem CID15172603
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name[2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1ccc2c(c1)C=CC(C)(C)O2
InChIInChI=1S/C15H16O4/c1-10(16)18-9-13(17)11-4-5-14-12(8-11)6-7-15(2,3)19-14/h4-8H,9H2,1-3H3
InChIKeyLORIDAQKSAOIRR-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate?
The IUPAC name of [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate (CID 15172603) is [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate is CC(=O)OCC(=O)c1ccc2c(c1)C=CC(C)(C)O2.
What is the InChIKey of [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate?
The InChIKey is LORIDAQKSAOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10(16)18-9-13(17)11-4-5-14-12(8-11)6-7-15(2,3)19-14/h4-8H,9H2,1-3H3.
What are the key properties of [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate?
[2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate has a molecular weight of 260.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate is sourced from PubChem (CID 15172603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).