3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one

C27H26O6 — CID 142842432

IUPAC3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)=C1OCc1ccccc1
InChIInChI=1S/C27H26O6/c28-24-23(19-30-16-20-10-4-1-5-11-20)33-27(29)26(32-18-22-14-8-3-9-15-22)25(24)31-17-21-12-6-2-7-13-21/h1-15,23-24,28H,16-19H2
InChIKeySJVOPGDEGGTSFG-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.13
Rot. Bonds10

About 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one

3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one (PubChem CID 142842432) has the molecular formula C27H26O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
PubChem CID142842432
Molecular FormulaC27H26O6
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Name3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)=C1OCc1ccccc1
InChIInChI=1S/C27H26O6/c28-24-23(19-30-16-20-10-4-1-5-11-20)33-27(29)26(32-18-22-14-8-3-9-15-22)25(24)31-17-21-12-6-2-7-13-21/h1-15,23-24,28H,16-19H2
InChIKeySJVOPGDEGGTSFG-UHFFFAOYSA-N
XLogP4.13
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 154508733
(2R)-2-[(2S)-oxiran-2-yl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 10640735
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(4S,5R)-4-methyl-3-methylidene-5-(phenylmethoxymethyl)oxolan-2-one
CID 11390632
2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid
CID 70623246
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
2-[2-(2-hydroxypropan-2-yloxy)ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 162753420
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
3-(phenylmethoxymethyl)oxirane-2-carboxamide
CID 10130485
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one?
The IUPAC name of 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one (CID 142842432) is 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one is O=C1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)=C1OCc1ccccc1.
What is the InChIKey of 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one?
The InChIKey is SJVOPGDEGGTSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O6/c28-24-23(19-30-16-20-10-4-1-5-11-20)33-27(29)26(32-18-22-14-8-3-9-15-22)25(24)31-17-21-12-6-2-7-13-21/h1-15,23-24,28H,16-19H2.
What are the key properties of 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one?
3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one has a molecular weight of 446.50 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 142842432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).