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

C16H16O6 — CID 91700704

IUPAC[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
SMILESCC(C)COC(=O)Oc1ccccc1OC(=O)c1ccco1
InChIInChI=1S/C16H16O6/c1-11(2)10-20-16(18)22-13-7-4-3-6-12(13)21-15(17)14-8-5-9-19-14/h3-9,11H,10H2,1-2H3
InChIKeyXJXWWKSBMZEUMV-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.67
Rot. Bonds5

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

[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate (PubChem CID 91700704) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
PubChem CID91700704
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
SMILESCC(C)COC(=O)Oc1ccccc1OC(=O)c1ccco1
InChIInChI=1S/C16H16O6/c1-11(2)10-20-16(18)22-13-7-4-3-6-12(13)21-15(17)14-8-5-9-19-14/h3-9,11H,10H2,1-2H3
InChIKeyXJXWWKSBMZEUMV-UHFFFAOYSA-N
XLogP3.67
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.67
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'}

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Related Compounds

(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate
CID 91700644
(2-butoxycarbonyloxyphenyl) 2-methylpropyl carbonate
CID 91704527
[2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate
CID 6429237
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
CID 91716966
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
CID 91700525
methane;propan-2-yl furan-2-carboxylate
CID 157166715
bromomethyl furan-2-carboxylate
CID 54363056
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate?
The IUPAC name of [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate (CID 91700704) is [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate.
What is the SMILES notation for [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate?
The canonical SMILES for [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate is CC(C)COC(=O)Oc1ccccc1OC(=O)c1ccco1.
What is the InChIKey of [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate?
The InChIKey is XJXWWKSBMZEUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-11(2)10-20-16(18)22-13-7-4-3-6-12(13)21-15(17)14-8-5-9-19-14/h3-9,11H,10H2,1-2H3.
What are the key properties of [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate?
[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate is sourced from PubChem (CID 91700704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).