2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one

C23H26O6 — CID 162753420

IUPAC2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
SMILESCC(C)(O)OCCC1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1
InChIInChI=1S/C23H26O6/c1-23(2,25)28-14-13-19-20(26-15-17-9-5-3-6-10-17)21(22(24)29-19)27-16-18-11-7-4-8-12-18/h3-12,19,25H,13-16H2,1-2H3
InChIKeyXUVACFLBMLLGSW-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.69
Rot. Bonds10

About 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one

2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one (PubChem CID 162753420) has the molecular formula C23H26O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
PubChem CID162753420
Molecular FormulaC23H26O6
Molecular Weight398.46 g/mol
Exact Mass398.17
IUPAC Name2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
SMILESCC(C)(O)OCCC1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1
InChIInChI=1S/C23H26O6/c1-23(2,25)28-14-13-19-20(26-15-17-9-5-3-6-10-17)21(22(24)29-19)27-16-18-11-7-4-8-12-18/h3-12,19,25H,13-16H2,1-2H3
InChIKeyXUVACFLBMLLGSW-UHFFFAOYSA-N
XLogP3.69
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 142525192
3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one
CID 54723596
2-(2-hydroxyethyl)-3,4-bis[[4-(methylamino)phenyl]methoxy]-2H-furan-5-one;phosphoric acid
CID 144525890
(2R)-2-[(2S)-oxiran-2-yl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 10640735
3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 142842432
ethyl 2-octyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 59180469
3,4-bis[(3-chloro-2,4-difluorophenyl)methoxy]-2-(2-hydroxyethyl)-2H-furan-5-one;dibenzyl hydrogen phosphate
CID 144525941
2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one
CID 173259006
ethyl 2-methyl-5-oxo-4-phenylmethoxy-2H-furan-3-carboxylate
CID 70918238
2-[(2S)-2-ethoxy-2-[(2R)-5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl]hexadecanoic acid
CID 118355049
5-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-dimethyloxolan-2-one
CID 163730000
(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 70356460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one?
The IUPAC name of 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one (CID 162753420) is 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one.
What is the SMILES notation for 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one?
The canonical SMILES for 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one is CC(C)(O)OCCC1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1.
What is the InChIKey of 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one?
The InChIKey is XUVACFLBMLLGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O6/c1-23(2,25)28-14-13-19-20(26-15-17-9-5-3-6-10-17)21(22(24)29-19)27-16-18-11-7-4-8-12-18/h3-12,19,25H,13-16H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one?
2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one has a molecular weight of 398.46 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one is sourced from PubChem (CID 162753420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).