1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol

C36H30O10S2 — CID 11093677

IUPAC1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol
SMILESCOc1ccc(S(=O)(=O)c2cc3ccc(OC)cc3c(-c3c(O)c(S(=O)(=O)c4ccc(OC)cc4)cc4ccc(OC)cc34)c2O)cc1
InChIInChI=1S/C36H30O10S2/c1-43-23-9-13-27(14-10-23)47(39,40)31-17-21-5-7-25(45-3)19-29(21)33(35(31)37)34-30-20-26(46-4)8-6-22(30)18-32(36(34)38)48(41,42)28-15-11-24(44-2)12-16-28/h5-20,37-38H,1-4H3
InChIKeyLAOVTFKUEYCKHR-UHFFFAOYSA-N
MW686.76 g/mol
LogP6.77
Rot. Bonds9

About 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol

1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol (PubChem CID 11093677) has the molecular formula C36H30O10S2 and a molecular weight of 686.76 g/mol. Its IUPAC name is 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol
PubChem CID11093677
Molecular FormulaC36H30O10S2
Molecular Weight686.76 g/mol
Exact Mass686.13
IUPAC Name1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol
SMILESCOc1ccc(S(=O)(=O)c2cc3ccc(OC)cc3c(-c3c(O)c(S(=O)(=O)c4ccc(OC)cc4)cc4ccc(OC)cc34)c2O)cc1
InChIInChI=1S/C36H30O10S2/c1-43-23-9-13-27(14-10-23)47(39,40)31-17-21-5-7-25(45-3)19-29(21)33(35(31)37)34-30-20-26(46-4)8-6-22(30)18-32(36(34)38)48(41,42)28-15-11-24(44-2)12-16-28/h5-20,37-38H,1-4H3
InChIKeyLAOVTFKUEYCKHR-UHFFFAOYSA-N
XLogP6.77
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.76
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
4-(4-methoxyphenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312060
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
CID 18559299
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 20874609
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
2-amino-5-(4-methoxyphenyl)sulfonylphenol
CID 168654688
N-[5-(4-chlorophenyl)sulfonyl-4-hydroxy-2,3-dimethylphenyl]-4-methoxybenzenesulfonamide
CID 1259998
4-hydroxy-7-methoxy-3-(4-methylphenyl)sulfonylchromen-2-one
CID 54695448
[4-[4-(4-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 4-methoxybenzoate
CID 2379395

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol (CID 11093677) is 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol is COc1ccc(S(=O)(=O)c2cc3ccc(OC)cc3c(-c3c(O)c(S(=O)(=O)c4ccc(OC)cc4)cc4ccc(OC)cc34)c2O)cc1.
What is the InChIKey of 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol?
The InChIKey is LAOVTFKUEYCKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O10S2/c1-43-23-9-13-27(14-10-23)47(39,40)31-17-21-5-7-25(45-3)19-29(21)33(35(31)37)34-30-20-26(46-4)8-6-22(30)18-32(36(34)38)48(41,42)28-15-11-24(44-2)12-16-28/h5-20,37-38H,1-4H3.
What are the key properties of 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol?
1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol has a molecular weight of 686.76 g/mol, XLogP of 6.77, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-1-yl]-7-methoxy-3-(4-methoxyphenyl)sulfonylnaphthalen-2-ol is sourced from PubChem (CID 11093677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).