(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate

C15H10O6 — CID 91700644

IUPAC(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate
SMILESC#CCOC(=O)Oc1ccccc1OC(=O)c1ccco1
InChIInChI=1S/C15H10O6/c1-2-9-19-15(17)21-12-7-4-3-6-11(12)20-14(16)13-8-5-10-18-13/h1,3-8,10H,9H2
InChIKeyCSCFSEBSTPCBNB-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.65
Rot. Bonds4

About (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate

(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate (PubChem CID 91700644) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate
PubChem CID91700644
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate
SMILESC#CCOC(=O)Oc1ccccc1OC(=O)c1ccco1
InChIInChI=1S/C15H10O6/c1-2-9-19-15(17)21-12-7-4-3-6-11(12)20-14(16)13-8-5-10-18-13/h1,3-8,10H,9H2
InChIKeyCSCFSEBSTPCBNB-UHFFFAOYSA-N
XLogP2.65
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
CID 91700704
[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
CID 91716966
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
CID 91700525
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138
bromomethyl furan-2-carboxylate
CID 54363056
(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
CID 7314053
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896
(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
CID 44583499
[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate
CID 1183207
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
[2-(furan-2-carbonylamino)-3-pyridinyl] furan-2-carboxylate
CID 17018639
(3-chloro-4-pyridinyl) furan-2-carboxylate
CID 23182895

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate?
The IUPAC name of (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate (CID 91700644) is (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate.
What is the SMILES notation for (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate?
The canonical SMILES for (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate is C#CCOC(=O)Oc1ccccc1OC(=O)c1ccco1.
What is the InChIKey of (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate?
The InChIKey is CSCFSEBSTPCBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c1-2-9-19-15(17)21-12-7-4-3-6-11(12)20-14(16)13-8-5-10-18-13/h1,3-8,10H,9H2.
What are the key properties of (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate?
(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate has a molecular weight of 286.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate is sourced from PubChem (CID 91700644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).