5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol

C28H24O5 — CID 71422766

IUPAC5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol
SMILESCCO.Oc1cc(O)cc(-c2c3ccccc3c(-c3cc(O)cc(O)c3)c3ccccc23)c1
InChIInChI=1S/C26H18O4.C2H6O/c27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16;1-2-3/h1-14,27-30H;3H,2H2,1H3
InChIKeyXZODBIFXLPSLGX-UHFFFAOYSA-N
MW440.50 g/mol
LogP6.15
Rot. Bonds2

About 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol

5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol (PubChem CID 71422766) has the molecular formula C28H24O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol.

Molecular Properties

Compound Name5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol
PubChem CID71422766
Molecular FormulaC28H24O5
Molecular Weight440.50 g/mol
Exact Mass440.16
IUPAC Name5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol
SMILESCCO.Oc1cc(O)cc(-c2c3ccccc3c(-c3cc(O)cc(O)c3)c3ccccc23)c1
InChIInChI=1S/C26H18O4.C2H6O/c27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16;1-2-3/h1-14,27-30H;3H,2H2,1H3
InChIKeyXZODBIFXLPSLGX-UHFFFAOYSA-N
XLogP6.15
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol?
The IUPAC name of 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol (CID 71422766) is 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol.
What is the SMILES notation for 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol?
The canonical SMILES for 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol is CCO.Oc1cc(O)cc(-c2c3ccccc3c(-c3cc(O)cc(O)c3)c3ccccc23)c1.
What is the InChIKey of 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol?
The InChIKey is XZODBIFXLPSLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4.C2H6O/c27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16;1-2-3/h1-14,27-30H;3H,2H2,1H3.
What are the key properties of 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol?
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol has a molecular weight of 440.50 g/mol, XLogP of 6.15, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol is sourced from PubChem (CID 71422766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).