4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione

C24H26O5 — CID 70123084

IUPAC4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione
SMILESCC[C@@H](C1=C(O)C(=O)C([C@H](CC)[C@@H](O)c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C24H26O5/c1-3-17(15-11-7-5-8-12-15)19-21(26)22(27)23(29-24(19)28)18(4-2)20(25)16-13-9-6-10-14-16/h5-14,17-18,20,23,25-26H,3-4H2,1-2H3/t17-,18-,20+,23?/m1/s1
InChIKeyHSGNTPUDSKVOQV-LFFZGMHMSA-N
MW394.47 g/mol
LogP4.25
Rot. Bonds7

About 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione

4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione (PubChem CID 70123084) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione
PubChem CID70123084
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione
SMILESCC[C@@H](C1=C(O)C(=O)C([C@H](CC)[C@@H](O)c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C24H26O5/c1-3-17(15-11-7-5-8-12-15)19-21(26)22(27)23(29-24(19)28)18(4-2)20(25)16-13-9-6-10-14-16/h5-14,17-18,20,23,25-26H,3-4H2,1-2H3/t17-,18-,20+,23?/m1/s1
InChIKeyHSGNTPUDSKVOQV-LFFZGMHMSA-N
XLogP4.25
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione with MolForge

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Related Compounds

6-(1-chloropentan-3-yl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2,5-dione
CID 70121398
(4aR,7aS)-4-hydroxy-3-[(1S)-1-phenylpropyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one
CID 129406235
4-hydroxy-3-(1-phenylpropyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one
CID 54690706
4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one
CID 70106567
3-[cyclopropyl(phenyl)methyl]-6-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)butan-2-yl]-4-hydroxypyran-2,5-dione
CID 70122519
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one
CID 54687941
oxalic acid;1-phenylpropylbenzene
CID 67824543
4-hydroxy-3-[1-(5-methylthiophen-2-yl)propyl]-6-[1-(3-oxofuran-2-yl)butan-2-yl]pyran-2,5-dione
CID 70131482
4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one
CID 70104683
3-hydroxy-6-[hydroxy(pyridin-3-yl)methyl]-4-phenylpyran-2,5-dione
CID 101045482
6-[1-(4-chlorophenyl)-3-cyclopropylpropan-2-yl]-4-hydroxy-3-[1-(5-methylthiophen-2-yl)propyl]pyran-2,5-dione
CID 70131066
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione?
The IUPAC name of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione (CID 70123084) is 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione.
What is the SMILES notation for 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione?
The canonical SMILES for 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione is CC[C@@H](C1=C(O)C(=O)C([C@H](CC)[C@@H](O)c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione?
The InChIKey is HSGNTPUDSKVOQV-LFFZGMHMSA-N. The full InChI is InChI=1S/C24H26O5/c1-3-17(15-11-7-5-8-12-15)19-21(26)22(27)23(29-24(19)28)18(4-2)20(25)16-13-9-6-10-14-16/h5-14,17-18,20,23,25-26H,3-4H2,1-2H3/t17-,18-,20+,23?/m1/s1.
What are the key properties of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione?
4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione has a molecular weight of 394.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-[(1R)-1-phenylpropyl]pyran-2,5-dione is sourced from PubChem (CID 70123084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).