[3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate

C30H30O10 — CID 164930337

IUPAC[3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate
SMILESCC(c1ccc(OCC(O)COC(=O)c2ccco2)cc1)c1ccc(OCC(O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C30H30O10/c1-20(21-6-10-25(11-7-21)37-16-23(31)18-39-29(33)27-4-2-14-35-27)22-8-12-26(13-9-22)38-17-24(32)19-40-30(34)28-5-3-15-36-28/h2-15,20,23-24,31-32H,16-19H2,1H3
InChIKeyKWVAPDXXGCVGCV-UHFFFAOYSA-N
MW550.56 g/mol
LogP4.22
Rot. Bonds14

About [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate

[3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate (PubChem CID 164930337) has the molecular formula C30H30O10 and a molecular weight of 550.56 g/mol. Its IUPAC name is [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate.

Molecular Properties

Compound Name[3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate
PubChem CID164930337
Molecular FormulaC30H30O10
Molecular Weight550.56 g/mol
Exact Mass550.18
IUPAC Name[3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate
SMILESCC(c1ccc(OCC(O)COC(=O)c2ccco2)cc1)c1ccc(OCC(O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C30H30O10/c1-20(21-6-10-25(11-7-21)37-16-23(31)18-39-29(33)27-4-2-14-35-27)22-8-12-26(13-9-22)38-17-24(32)19-40-30(34)28-5-3-15-36-28/h2-15,20,23-24,31-32H,16-19H2,1H3
InChIKeyKWVAPDXXGCVGCV-UHFFFAOYSA-N
XLogP4.22
TPSA137.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate with MolForge

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Related Compounds

[3-[4-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-2-hydroxypropyl] furan-2-carboxylate
CID 164930360
[2-hydroxy-3-[4-[1-[4-(2-hydroxy-3-prop-2-ynoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-ynoate
CID 169320175
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
CID 2918144
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
CID 139630943
1-chloro-3-[4-[1-[4-(3-chloro-2-hydroxypropoxy)phenyl]ethyl]phenoxy]propan-2-ol
CID 101328609
N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide
CID 46406954
2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate
CID 20721855
bromomethyl furan-2-carboxylate
CID 54363056
N-[4-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propoxy]phenyl]furan-2-carboxamide
CID 34531403
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 110781155
[3-(4-butan-2-ylphenoxy)-2-hydroxypropyl] prop-2-enoate
CID 23517808

Frequently Asked Questions

What is the IUPAC name of [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate?
The IUPAC name of [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate (CID 164930337) is [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate.
What is the SMILES notation for [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate?
The canonical SMILES for [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate is CC(c1ccc(OCC(O)COC(=O)c2ccco2)cc1)c1ccc(OCC(O)COC(=O)c2ccco2)cc1.
What is the InChIKey of [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate?
The InChIKey is KWVAPDXXGCVGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O10/c1-20(21-6-10-25(11-7-21)37-16-23(31)18-39-29(33)27-4-2-14-35-27)22-8-12-26(13-9-22)38-17-24(32)19-40-30(34)28-5-3-15-36-28/h2-15,20,23-24,31-32H,16-19H2,1H3.
What are the key properties of [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate?
[3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate has a molecular weight of 550.56 g/mol, XLogP of 4.22, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate is sourced from PubChem (CID 164930337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).