2-methylpropyl 4-oxochromene-2-carboxylate

C14H14O4 — CID 11837284

IUPAC2-methylpropyl 4-oxochromene-2-carboxylate
SMILESCC(C)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H14O4/c1-9(2)8-17-14(16)13-7-11(15)10-5-3-4-6-12(10)18-13/h3-7,9H,8H2,1-2H3
InChIKeyKYZHURLEMJKRAV-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.61
Rot. Bonds3

About 2-methylpropyl 4-oxochromene-2-carboxylate

2-methylpropyl 4-oxochromene-2-carboxylate (PubChem CID 11837284) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-methylpropyl 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-oxochromene-2-carboxylate
PubChem CID11837284
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-methylpropyl 4-oxochromene-2-carboxylate
SMILESCC(C)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H14O4/c1-9(2)8-17-14(16)13-7-11(15)10-5-3-4-6-12(10)18-13/h3-7,9H,8H2,1-2H3
InChIKeyKYZHURLEMJKRAV-UHFFFAOYSA-N
XLogP2.61
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pentyl 4-oxochromene-2-carboxylate
CID 141077364
[2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate
CID 160716765
2,2,2-trichloroethyl 4-oxochromene-2-carboxylate
CID 901150
[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2689437
(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate
CID 7765330
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-oxochromene-2-carboxylate
CID 2699773
cyclohexylmethyl 4-oxochromene-2-carboxylate
CID 769492
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080390
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080174
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
CID 15041163
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2435637

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-oxochromene-2-carboxylate?
The IUPAC name of 2-methylpropyl 4-oxochromene-2-carboxylate (CID 11837284) is 2-methylpropyl 4-oxochromene-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-oxochromene-2-carboxylate?
The canonical SMILES for 2-methylpropyl 4-oxochromene-2-carboxylate is CC(C)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-methylpropyl 4-oxochromene-2-carboxylate?
The InChIKey is KYZHURLEMJKRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-9(2)8-17-14(16)13-7-11(15)10-5-3-4-6-12(10)18-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-methylpropyl 4-oxochromene-2-carboxylate?
2-methylpropyl 4-oxochromene-2-carboxylate has a molecular weight of 246.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-oxochromene-2-carboxylate is sourced from PubChem (CID 11837284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).