(7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol

C28H22O6 — CID 11744687

IUPAC(7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol
SMILESOc1ccc(C2=Cc3cc(O)cc(O)c3[C@@H](c3cc(O)cc(O)c3)[C@@H]2c2ccc(O)cc2)cc1
InChIInChI=1S/C28H22O6/c29-19-5-1-15(2-6-19)24-12-18-11-23(33)14-25(34)27(18)28(17-9-21(31)13-22(32)10-17)26(24)16-3-7-20(30)8-4-16/h1-14,26,28-34H/t26-,28+/m1/s1
InChIKeyUMRLJKNCWIGTIM-IAPPQJPRSA-N
MW454.48 g/mol
LogP5.39
Rot. Bonds3

About (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol

(7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol (PubChem CID 11744687) has the molecular formula C28H22O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol.

Molecular Properties

Compound Name(7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol
PubChem CID11744687
Molecular FormulaC28H22O6
Molecular Weight454.48 g/mol
Exact Mass454.14
IUPAC Name(7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol
SMILESOc1ccc(C2=Cc3cc(O)cc(O)c3[C@@H](c3cc(O)cc(O)c3)[C@@H]2c2ccc(O)cc2)cc1
InChIInChI=1S/C28H22O6/c29-19-5-1-15(2-6-19)24-12-18-11-23(33)14-25(34)27(18)28(17-9-21(31)13-22(32)10-17)26(24)16-3-7-20(30)8-4-16/h1-14,26,28-34H/t26-,28+/m1/s1
InChIKeyUMRLJKNCWIGTIM-IAPPQJPRSA-N
XLogP5.39
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500454.48
LogP ≤ 55.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol?
The IUPAC name of (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol (CID 11744687) is (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol.
What is the SMILES notation for (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol?
The canonical SMILES for (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol is Oc1ccc(C2=Cc3cc(O)cc(O)c3[C@@H](c3cc(O)cc(O)c3)[C@@H]2c2ccc(O)cc2)cc1.
What is the InChIKey of (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol?
The InChIKey is UMRLJKNCWIGTIM-IAPPQJPRSA-N. The full InChI is InChI=1S/C28H22O6/c29-19-5-1-15(2-6-19)24-12-18-11-23(33)14-25(34)27(18)28(17-9-21(31)13-22(32)10-17)26(24)16-3-7-20(30)8-4-16/h1-14,26,28-34H/t26-,28+/m1/s1.
What are the key properties of (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol?
(7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol has a molecular weight of 454.48 g/mol, XLogP of 5.39, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-7,8-dihydronaphthalene-1,3-diol is sourced from PubChem (CID 11744687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).