7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride

C15H13ClO4 — CID 166072606

IUPAC7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride
SMILESO=C(Cl)c1cc2ccc(OC3CCCC3)cc2oc1=O
InChIInChI=1S/C15H13ClO4/c16-14(17)12-7-9-5-6-11(8-13(9)20-15(12)18)19-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyZDYPPHCLKYSBLL-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.49
Rot. Bonds3

About 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride

7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride (PubChem CID 166072606) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride.

Molecular Properties

Compound Name7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride
PubChem CID166072606
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride
SMILESO=C(Cl)c1cc2ccc(OC3CCCC3)cc2oc1=O
InChIInChI=1S/C15H13ClO4/c16-14(17)12-7-9-5-6-11(8-13(9)20-15(12)18)19-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyZDYPPHCLKYSBLL-UHFFFAOYSA-N
XLogP3.49
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-cyclobutyloxy-2-oxochromene-3-carboxylic acid
CID 166609266
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one
CID 75274769
7-piperidin-3-yloxychromen-2-one
CID 46735671
N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 10025485
(3-acetyl-2-oxochromen-7-yl) acetate
CID 3905048
7-(9-azabicyclo[3.3.1]nonan-3-yloxy)chromen-2-one;hydrochloride
CID 87315248
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] butanoate
CID 19185659
methyl-[(1S,5R)-3-(3-methyl-2-oxochromen-7-yl)oxy-8-azabicyclo[3.2.1]octan-8-yl]borinic acid
CID 87268989
7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-ethylchromen-2-one;hydrochloride
CID 56596869
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
7-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-3-phenylchromen-2-one
CID 87521157

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride?
The IUPAC name of 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride (CID 166072606) is 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride.
What is the SMILES notation for 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride?
The canonical SMILES for 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride is O=C(Cl)c1cc2ccc(OC3CCCC3)cc2oc1=O.
What is the InChIKey of 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride?
The InChIKey is ZDYPPHCLKYSBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c16-14(17)12-7-9-5-6-11(8-13(9)20-15(12)18)19-10-3-1-2-4-10/h5-8,10H,1-4H2.
What are the key properties of 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride?
7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride has a molecular weight of 292.72 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride is sourced from PubChem (CID 166072606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).