2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one

C21H22O6 — CID 142525192

IUPAC2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one
SMILESCOCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1
InChIInChI=1S/C21H22O6/c1-24-14-17(22)18-19(25-12-15-8-4-2-5-9-15)20(21(23)27-18)26-13-16-10-6-3-7-11-16/h2-11,17-18,22H,12-14H2,1H3
InChIKeyROPYERWBPWEXQT-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.56
Rot. Bonds9

About 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one

2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one (PubChem CID 142525192) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one
PubChem CID142525192
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one
SMILESCOCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1
InChIInChI=1S/C21H22O6/c1-24-14-17(22)18-19(25-12-15-8-4-2-5-9-15)20(21(23)27-18)26-13-16-10-6-3-7-11-16/h2-11,17-18,22H,12-14H2,1H3
InChIKeyROPYERWBPWEXQT-UHFFFAOYSA-N
XLogP2.56
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one
CID 173259006
(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 70356460
(2R)-2-[(1S)-2-(4-butyltriazol-1-yl)-1-hydroxyethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 155541068
2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 162753420
(2R)-2-[(1S)-2-(4-decyltriazol-1-yl)-1-hydroxyethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 155534038
(2R)-2-[(1S)-2-[4-(4-bromophenyl)triazol-1-yl]-1-hydroxyethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 155514485
dibenzyl [1-[3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] phosphate
CID 78056592
[(1S)-1-[(2R)-3,4-bis[(4-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
CID 71262036
2-[(2S)-2-ethoxy-2-[(2R)-5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl]hexadecanoic acid
CID 118355049
(2R)-2-[(2S)-oxiran-2-yl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 10640735
dibenzyl [2-hydroxy-1-[5-oxo-3,4-bis(thiophen-3-ylmethoxy)-2H-furan-2-yl]ethyl] phosphate
CID 78056578
N-[[1-[(2S)-2-hydroxy-2-[(2R)-5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl]triazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 155522869

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one?
The IUPAC name of 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one (CID 142525192) is 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one.
What is the SMILES notation for 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one?
The canonical SMILES for 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one is COCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1.
What is the InChIKey of 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one?
The InChIKey is ROPYERWBPWEXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O6/c1-24-14-17(22)18-19(25-12-15-8-4-2-5-9-15)20(21(23)27-18)26-13-16-10-6-3-7-11-16/h2-11,17-18,22H,12-14H2,1H3.
What are the key properties of 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one?
2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one has a molecular weight of 370.40 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one is sourced from PubChem (CID 142525192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).