3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol

C36H30O8 — CID 71141860

IUPAC3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
SMILESCOc1cc(OC)c(O)c(-c2cc3ccccc3c(-c3c(O)c(-c4cc(OC)cc(OC)c4O)cc4ccccc34)c2O)c1
InChIInChI=1S/C36H30O8/c1-41-21-15-27(33(37)29(17-21)43-3)25-13-19-9-5-7-11-23(19)31(35(25)39)32-24-12-8-6-10-20(24)14-26(36(32)40)28-16-22(42-2)18-30(44-4)34(28)38/h5-18,37-40H,1-4H3
InChIKeyNDHQLBSSQWRDOS-UHFFFAOYSA-N
MW590.63 g/mol
LogP7.85
Rot. Bonds7

About 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol

3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol (PubChem CID 71141860) has the molecular formula C36H30O8 and a molecular weight of 590.63 g/mol. Its IUPAC name is 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
PubChem CID71141860
Molecular FormulaC36H30O8
Molecular Weight590.63 g/mol
Exact Mass590.19
IUPAC Name3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
SMILESCOc1cc(OC)c(O)c(-c2cc3ccccc3c(-c3c(O)c(-c4cc(OC)cc(OC)c4O)cc4ccccc34)c2O)c1
InChIInChI=1S/C36H30O8/c1-41-21-15-27(33(37)29(17-21)43-3)25-13-19-9-5-7-11-23(19)31(35(25)39)32-24-12-8-6-10-20(24)14-26(36(32)40)28-16-22(42-2)18-30(44-4)34(28)38/h5-18,37-40H,1-4H3
InChIKeyNDHQLBSSQWRDOS-UHFFFAOYSA-N
XLogP7.85
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.63
LogP ≤ 57.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 11342498
3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol
CID 134955568
6-[10-(3-methoxynaphthalen-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163532535
3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
CID 159220371
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
CID 142924740
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
CID 138737035
1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol
CID 158265528
3-(5-tert-butyl-2-hydroxyphenyl)-1-[3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 71141865
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 11361877

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol (CID 71141860) is 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol is COc1cc(OC)c(O)c(-c2cc3ccccc3c(-c3c(O)c(-c4cc(OC)cc(OC)c4O)cc4ccccc34)c2O)c1.
What is the InChIKey of 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol?
The InChIKey is NDHQLBSSQWRDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O8/c1-41-21-15-27(33(37)29(17-21)43-3)25-13-19-9-5-7-11-23(19)31(35(25)39)32-24-12-8-6-10-20(24)14-26(36(32)40)28-16-22(42-2)18-30(44-4)34(28)38/h5-18,37-40H,1-4H3.
What are the key properties of 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol?
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 590.63 g/mol, XLogP of 7.85, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 71141860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).