[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate

C16H14O5 — CID 91700525

IUPAC[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccccc1OC(=O)C1CCC1)c1ccco1
InChIInChI=1S/C16H14O5/c17-15(11-5-3-6-11)20-12-7-1-2-8-13(12)21-16(18)14-9-4-10-19-14/h1-2,4,7-11H,3,5-6H2
InChIKeyODBSACJSIDBVRX-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.20
Rot. Bonds4

About [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate

[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate (PubChem CID 91700525) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
PubChem CID91700525
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccccc1OC(=O)C1CCC1)c1ccco1
InChIInChI=1S/C16H14O5/c17-15(11-5-3-6-11)20-12-7-1-2-8-13(12)21-16(18)14-9-4-10-19-14/h1-2,4,7-11H,3,5-6H2
InChIKeyODBSACJSIDBVRX-UHFFFAOYSA-N
XLogP3.20
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl furan-2-carboxylate
CID 565207
[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
CID 91716966
(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate
CID 91700644
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138
(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
CID 7314053
[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
CID 91700704
[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate
CID 91695251
2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
CID 172567319
(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
CID 44583499
[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate
CID 170936704
[2-(furan-2-carbonylamino)-3-pyridinyl] furan-2-carboxylate
CID 17018639
ethyl 2-(cyclohexanecarbonyloxy)benzoate
CID 151472911

Frequently Asked Questions

What is the IUPAC name of [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate?
The IUPAC name of [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate (CID 91700525) is [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate.
What is the SMILES notation for [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate?
The canonical SMILES for [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate is O=C(Oc1ccccc1OC(=O)C1CCC1)c1ccco1.
What is the InChIKey of [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate?
The InChIKey is ODBSACJSIDBVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-15(11-5-3-6-11)20-12-7-1-2-8-13(12)21-16(18)14-9-4-10-19-14/h1-2,4,7-11H,3,5-6H2.
What are the key properties of [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate?
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate has a molecular weight of 286.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate is sourced from PubChem (CID 91700525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).