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

C28H22O6 — CID 162971461

IUPAC(8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol
SMILESOc1ccc(C2=C(c3ccc(O)cc3)[C@H](c3cc(O)cc(O)c3)c3c(O)cc(O)cc3C2)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/h1-11,13-14,28-34H,12H2/t28-/m0/s1
InChIKeyZUOFIYSMCLKBAS-NDEPHWFRSA-N
MW454.48 g/mol
LogP5.22
Rot. Bonds3

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

(8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol (PubChem CID 162971461) has the molecular formula C28H22O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol.

Molecular Properties

Compound Name(8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol
PubChem CID162971461
Molecular FormulaC28H22O6
Molecular Weight454.48 g/mol
Exact Mass454.14
IUPAC Name(8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol
SMILESOc1ccc(C2=C(c3ccc(O)cc3)[C@H](c3cc(O)cc(O)c3)c3c(O)cc(O)cc3C2)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/h1-11,13-14,28-34H,12H2/t28-/m0/s1
InChIKeyZUOFIYSMCLKBAS-NDEPHWFRSA-N
XLogP5.22
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 ≤ 55.22
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 (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol?
The IUPAC name of (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol (CID 162971461) is (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol.
What is the SMILES notation for (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol?
The canonical SMILES for (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol is Oc1ccc(C2=C(c3ccc(O)cc3)[C@H](c3cc(O)cc(O)c3)c3c(O)cc(O)cc3C2)cc1.
What is the InChIKey of (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol?
The InChIKey is ZUOFIYSMCLKBAS-NDEPHWFRSA-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/h1-11,13-14,28-34H,12H2/t28-/m0/s1.
What are the key properties of (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol?
(8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol has a molecular weight of 454.48 g/mol, XLogP of 5.22, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(3,5-dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydronaphthalene-1,3-diol is sourced from PubChem (CID 162971461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).