(1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol

C24H26O8 — CID 44605533

IUPAC(1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol
SMILESCOc1cc(-c2ccccc2)cc(Oc2c(OC)cc([C@@H](O)[C@H](O)CO)cc2OC)c1O
InChIInChI=1S/C24H26O8/c1-29-18-9-15(14-7-5-4-6-8-14)10-19(23(18)28)32-24-20(30-2)11-16(12-21(24)31-3)22(27)17(26)13-25/h4-12,17,22,25-28H,13H2,1-3H3/t17-,22-/m1/s1
InChIKeyLXYLAIPUYRMIPU-VGOFRKELSA-N
MW442.46 g/mol
LogP3.26
Rot. Bonds9

About (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol

(1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol (PubChem CID 44605533) has the molecular formula C24H26O8 and a molecular weight of 442.46 g/mol. Its IUPAC name is (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol
PubChem CID44605533
Molecular FormulaC24H26O8
Molecular Weight442.46 g/mol
Exact Mass442.16
IUPAC Name(1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol
SMILESCOc1cc(-c2ccccc2)cc(Oc2c(OC)cc([C@@H](O)[C@H](O)CO)cc2OC)c1O
InChIInChI=1S/C24H26O8/c1-29-18-9-15(14-7-5-4-6-8-14)10-19(23(18)28)32-24-20(30-2)11-16(12-21(24)31-3)22(27)17(26)13-25/h4-12,17,22,25-28H,13H2,1-3H3/t17-,22-/m1/s1
InChIKeyLXYLAIPUYRMIPU-VGOFRKELSA-N
XLogP3.26
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol?
The IUPAC name of (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol (CID 44605533) is (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol.
What is the SMILES notation for (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol?
The canonical SMILES for (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol is COc1cc(-c2ccccc2)cc(Oc2c(OC)cc([C@@H](O)[C@H](O)CO)cc2OC)c1O.
What is the InChIKey of (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol?
The InChIKey is LXYLAIPUYRMIPU-VGOFRKELSA-N. The full InChI is InChI=1S/C24H26O8/c1-29-18-9-15(14-7-5-4-6-8-14)10-19(23(18)28)32-24-20(30-2)11-16(12-21(24)31-3)22(27)17(26)13-25/h4-12,17,22,25-28H,13H2,1-3H3/t17-,22-/m1/s1.
What are the key properties of (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol?
(1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol has a molecular weight of 442.46 g/mol, XLogP of 3.26, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(2-hydroxy-3-methoxy-5-phenylphenoxy)-3,5-dimethoxyphenyl]propane-1,2,3-triol is sourced from PubChem (CID 44605533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).