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

C24H26O4 — CID 70106567

IUPAC4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one
SMILESCCC(c1ccccc1)c1c(O)cc([C@H](CC)[C@@H](O)c2ccccc2)oc1=O
InChIInChI=1S/C24H26O4/c1-3-18(16-11-7-5-8-12-16)22-20(25)15-21(28-24(22)27)19(4-2)23(26)17-13-9-6-10-14-17/h5-15,18-19,23,25-26H,3-4H2,1-2H3/t18?,19-,23-/m0/s1
InChIKeyRMGBIBXGSXZKDA-WUVYZUJSSA-N
MW378.47 g/mol
LogP5.11
Rot. Bonds7

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

4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one (PubChem CID 70106567) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one
PubChem CID70106567
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one
SMILESCCC(c1ccccc1)c1c(O)cc([C@H](CC)[C@@H](O)c2ccccc2)oc1=O
InChIInChI=1S/C24H26O4/c1-3-18(16-11-7-5-8-12-16)22-20(25)15-21(28-24(22)27)19(4-2)23(26)17-13-9-6-10-14-17/h5-15,18-19,23,25-26H,3-4H2,1-2H3/t18?,19-,23-/m0/s1
InChIKeyRMGBIBXGSXZKDA-WUVYZUJSSA-N
XLogP5.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one (CID 70106567) is 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one is CCC(c1ccccc1)c1c(O)cc([C@H](CC)[C@@H](O)c2ccccc2)oc1=O.
What is the InChIKey of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one?
The InChIKey is RMGBIBXGSXZKDA-WUVYZUJSSA-N. The full InChI is InChI=1S/C24H26O4/c1-3-18(16-11-7-5-8-12-16)22-20(25)15-21(28-24(22)27)19(4-2)23(26)17-13-9-6-10-14-17/h5-15,18-19,23,25-26H,3-4H2,1-2H3/t18?,19-,23-/m0/s1.
What are the key properties of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one?
4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one has a molecular weight of 378.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-phenylbutan-2-yl]-3-(1-phenylpropyl)pyran-2-one is sourced from PubChem (CID 70106567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).