(3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol

C20H22O6 — CID 162922821

IUPAC(3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol
SMILESCO[C@H]1c2cc(O)ccc2OC[C@H]1[C@@H]1COc2ccc(O)cc2[C@@H]1OC
InChIInChI=1S/C20H22O6/c1-23-19-13-7-11(21)3-5-17(13)25-9-15(19)16-10-26-18-6-4-12(22)8-14(18)20(16)24-2/h3-8,15-16,19-22H,9-10H2,1-2H3/t15-,16-,19-,20-/m0/s1
InChIKeyLYWCCZPPJCEHSB-FVCZOJIISA-N
MW358.39 g/mol
LogP3.19
Rot. Bonds3

About (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol

(3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol (PubChem CID 162922821) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol
PubChem CID162922821
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name(3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol
SMILESCO[C@H]1c2cc(O)ccc2OC[C@H]1[C@@H]1COc2ccc(O)cc2[C@@H]1OC
InChIInChI=1S/C20H22O6/c1-23-19-13-7-11(21)3-5-17(13)25-9-15(19)16-10-26-18-6-4-12(22)8-14(18)20(16)24-2/h3-8,15-16,19-22H,9-10H2,1-2H3/t15-,16-,19-,20-/m0/s1
InChIKeyLYWCCZPPJCEHSB-FVCZOJIISA-N
XLogP3.19
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol with MolForge

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Related Compounds

CID 92094
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CID 5282350
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CID 124052
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CID 9929901
CID 9929901
CID 182259
CID 182259
CID 10286159
CID 10286159
CID 336327
CID 336327
CID 480865
CID 480865
CID 72861
CID 72861
CID 119268
CID 119268
CID 91572
CID 91572
CID 177149
CID 177149

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol (CID 162922821) is (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol is CO[C@H]1c2cc(O)ccc2OC[C@H]1[C@@H]1COc2ccc(O)cc2[C@@H]1OC.
What is the InChIKey of (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is LYWCCZPPJCEHSB-FVCZOJIISA-N. The full InChI is InChI=1S/C20H22O6/c1-23-19-13-7-11(21)3-5-17(13)25-9-15(19)16-10-26-18-6-4-12(22)8-14(18)20(16)24-2/h3-8,15-16,19-22H,9-10H2,1-2H3/t15-,16-,19-,20-/m0/s1.
What are the key properties of (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol?
(3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 358.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(3R,4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 162922821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).