cyclohexylmethyl 4-oxochromene-2-carboxylate

C17H18O4 — CID 769492

IUPACcyclohexylmethyl 4-oxochromene-2-carboxylate
SMILESO=C(OCC1CCCCC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H18O4/c18-14-10-16(21-15-9-5-4-8-13(14)15)17(19)20-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2
InChIKeyDRODWFQJIKYCGQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.53
Rot. Bonds3

About cyclohexylmethyl 4-oxochromene-2-carboxylate

cyclohexylmethyl 4-oxochromene-2-carboxylate (PubChem CID 769492) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is cyclohexylmethyl 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-oxochromene-2-carboxylate
PubChem CID769492
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namecyclohexylmethyl 4-oxochromene-2-carboxylate
SMILESO=C(OCC1CCCCC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H18O4/c18-14-10-16(21-15-9-5-4-8-13(14)15)17(19)20-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2
InChIKeyDRODWFQJIKYCGQ-UHFFFAOYSA-N
XLogP3.53
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2433745
2-methylpropyl 4-oxochromene-2-carboxylate
CID 11837284
cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate
CID 7507953
2,2,2-trichloroethyl 4-oxochromene-2-carboxylate
CID 901150
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 7968395
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4148985
(2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate
CID 3566974
pentyl 4-oxochromene-2-carboxylate
CID 141077364
(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate
CID 7765330
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 7968487
[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9417318

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-oxochromene-2-carboxylate?
The IUPAC name of cyclohexylmethyl 4-oxochromene-2-carboxylate (CID 769492) is cyclohexylmethyl 4-oxochromene-2-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-oxochromene-2-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-oxochromene-2-carboxylate is O=C(OCC1CCCCC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of cyclohexylmethyl 4-oxochromene-2-carboxylate?
The InChIKey is DRODWFQJIKYCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c18-14-10-16(21-15-9-5-4-8-13(14)15)17(19)20-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2.
What are the key properties of cyclohexylmethyl 4-oxochromene-2-carboxylate?
cyclohexylmethyl 4-oxochromene-2-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-oxochromene-2-carboxylate is sourced from PubChem (CID 769492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).