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

C24H26O5 — CID 70104683

IUPAC4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one
SMILESCCC(c1ccccc1)c1c(O)cc([C@H](CC)[C@@H](O)c2ccc(O)cc2)oc1=O
InChIInChI=1S/C24H26O5/c1-3-18(15-8-6-5-7-9-15)22-20(26)14-21(29-24(22)28)19(4-2)23(27)16-10-12-17(25)13-11-16/h5-14,18-19,23,25-27H,3-4H2,1-2H3/t18?,19-,23-/m0/s1
InChIKeyZVYCCHSMLITLEA-WUVYZUJSSA-N
MW394.47 g/mol
LogP4.82
Rot. Bonds7

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

4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one (PubChem CID 70104683) 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-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one
PubChem CID70104683
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one
SMILESCCC(c1ccccc1)c1c(O)cc([C@H](CC)[C@@H](O)c2ccc(O)cc2)oc1=O
InChIInChI=1S/C24H26O5/c1-3-18(15-8-6-5-7-9-15)22-20(26)14-21(29-24(22)28)19(4-2)23(27)16-10-12-17(25)13-11-16/h5-14,18-19,23,25-27H,3-4H2,1-2H3/t18?,19-,23-/m0/s1
InChIKeyZVYCCHSMLITLEA-WUVYZUJSSA-N
XLogP4.82
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one (CID 70104683) is 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one is CCC(c1ccccc1)c1c(O)cc([C@H](CC)[C@@H](O)c2ccc(O)cc2)oc1=O.
What is the InChIKey of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one?
The InChIKey is ZVYCCHSMLITLEA-WUVYZUJSSA-N. The full InChI is InChI=1S/C24H26O5/c1-3-18(15-8-6-5-7-9-15)22-20(26)14-21(29-24(22)28)19(4-2)23(27)16-10-12-17(25)13-11-16/h5-14,18-19,23,25-27H,3-4H2,1-2H3/t18?,19-,23-/m0/s1.
What are the key properties of 4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one?
4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one has a molecular weight of 394.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 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-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one is sourced from PubChem (CID 70104683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).