7-cyclobutyloxy-2-oxochromene-3-carboxylic acid

C14H12O5 — CID 166609266

IUPAC7-cyclobutyloxy-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(OC3CCC3)cc2oc1=O
InChIInChI=1S/C14H12O5/c15-13(16)11-6-8-4-5-10(18-9-2-1-3-9)7-12(8)19-14(11)17/h4-7,9H,1-3H2,(H,15,16)
InChIKeyQVPDVUCEOZJXAJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.42
Rot. Bonds3

About 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid

7-cyclobutyloxy-2-oxochromene-3-carboxylic acid (PubChem CID 166609266) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclobutyloxy-2-oxochromene-3-carboxylic acid
PubChem CID166609266
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name7-cyclobutyloxy-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(OC3CCC3)cc2oc1=O
InChIInChI=1S/C14H12O5/c15-13(16)11-6-8-4-5-10(18-9-2-1-3-9)7-12(8)19-14(11)17/h4-7,9H,1-3H2,(H,15,16)
InChIKeyQVPDVUCEOZJXAJ-UHFFFAOYSA-N
XLogP2.42
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride
CID 166072606
2-oxo-7-(trifluoromethylsulfonyloxy)chromene-3-carboxylic acid
CID 22134873
7-octoxy-2-oxochromene-3-carboxylic acid
CID 21182395
2-oxochromene-3-carboxylic acid
CID 161011590
7-(4-fluorobenzoyl)oxy-2-oxochromene-3-carboxylic acid
CID 170530389
7-(4-amino-3-methylphenoxy)-2-oxochromene-3-carboxylic acid
CID 14647753
4-[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl]oxypiperidine-1-carboxylic acid
CID 118037871
2-oxobenzo[g]chromene-3-carboxylic acid
CID 11345462
2-oxochromene-3,6-dicarboxylic acid
CID 22966
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
CID 89307661
7-piperidin-3-yloxychromen-2-one
CID 46735671

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid?
The IUPAC name of 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid (CID 166609266) is 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2ccc(OC3CCC3)cc2oc1=O.
What is the InChIKey of 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid?
The InChIKey is QVPDVUCEOZJXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c15-13(16)11-6-8-4-5-10(18-9-2-1-3-9)7-12(8)19-14(11)17/h4-7,9H,1-3H2,(H,15,16).
What are the key properties of 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid?
7-cyclobutyloxy-2-oxochromene-3-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyloxy-2-oxochromene-3-carboxylic acid is sourced from PubChem (CID 166609266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).