1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol

C105H92N2O13 — CID 159255729

IUPAC1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol
SMILESC=Cc1ccc2c(-c3c(O)cc(-c4ccccc4)c4c(C)c(CC)ccc34)c(O)cc(C)c2c1.Cc1cc(O)c(-c2c(O)ccc3c2OCC(C)O3)c2c1OCCC2.Cc1cc2ccccc2c(O)c1-c1c(O)cc2ccccc2c1C.Cc1cccc(O)c1-c1c(C)cccc1O.Oc1ccc2ncccc2c1-c1c(O)cnc2ccccc12
InChIInChI=1S/C32H28O2.C22H18O2.C19H20O5.C18H12N2O2.C14H14O2/c1-5-21-12-14-24-26(17-21)19(3)16-28(33)31(24)32-25-15-13-22(6-2)20(4)30(25)27(18-29(32)34)23-10-8-7-9-11-23;1-13-11-15-7-4-6-10-18(15)22(24)20(13)21-14(2)17-9-5-3-8-16(17)12-19(21)23;1-10-8-14(21)16(12-4-3-7-22-18(10)12)17-13(20)5-6-15-19(17)23-9-11(2)24-15;21-15-8-7-14-12(5-3-9-19-14)17(15)18-11-4-1-2-6-13(11)20-10-16(18)22;1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h5,7-18,33-34H,1,6H2,2-4H3;3-12,23-24H,1-2H3;5-6,8,11,20-21H,3-4,7,9H2,1-2H3;1-10,21-22H;3-8,15-16H,1-2H3
InChIKeyKVWHCBWHDAUWDN-UHFFFAOYSA-N
MW1589.89 g/mol
LogP25.05
Rot. Bonds8

About 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol

1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol (PubChem CID 159255729) has the molecular formula C105H92N2O13 and a molecular weight of 1589.89 g/mol. Its IUPAC name is 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol.

Molecular Properties

Compound Name1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol
PubChem CID159255729
Molecular FormulaC105H92N2O13
Molecular Weight1589.89 g/mol
Exact Mass1588.66
IUPAC Name1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol
SMILESC=Cc1ccc2c(-c3c(O)cc(-c4ccccc4)c4c(C)c(CC)ccc34)c(O)cc(C)c2c1.Cc1cc(O)c(-c2c(O)ccc3c2OCC(C)O3)c2c1OCCC2.Cc1cc2ccccc2c(O)c1-c1c(O)cc2ccccc2c1C.Cc1cccc(O)c1-c1c(C)cccc1O.Oc1ccc2ncccc2c1-c1c(O)cnc2ccccc12
InChIInChI=1S/C32H28O2.C22H18O2.C19H20O5.C18H12N2O2.C14H14O2/c1-5-21-12-14-24-26(17-21)19(3)16-28(33)31(24)32-25-15-13-22(6-2)20(4)30(25)27(18-29(32)34)23-10-8-7-9-11-23;1-13-11-15-7-4-6-10-18(15)22(24)20(13)21-14(2)17-9-5-3-8-16(17)12-19(21)23;1-10-8-14(21)16(12-4-3-7-22-18(10)12)17-13(20)5-6-15-19(17)23-9-11(2)24-15;21-15-8-7-14-12(5-3-9-19-14)17(15)18-11-4-1-2-6-13(11)20-10-16(18)22;1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h5,7-18,33-34H,1,6H2,2-4H3;3-12,23-24H,1-2H3;5-6,8,11,20-21H,3-4,7,9H2,1-2H3;1-10,21-22H;3-8,15-16H,1-2H3
InChIKeyKVWHCBWHDAUWDN-UHFFFAOYSA-N
XLogP25.05
TPSA255.77 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms120
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.89
LogP ≤ 525.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol?
The IUPAC name of 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol (CID 159255729) is 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol.
What is the SMILES notation for 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol?
The canonical SMILES for 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol is C=Cc1ccc2c(-c3c(O)cc(-c4ccccc4)c4c(C)c(CC)ccc34)c(O)cc(C)c2c1.Cc1cc(O)c(-c2c(O)ccc3c2OCC(C)O3)c2c1OCCC2.Cc1cc2ccccc2c(O)c1-c1c(O)cc2ccccc2c1C.Cc1cccc(O)c1-c1c(C)cccc1O.Oc1ccc2ncccc2c1-c1c(O)cnc2ccccc12.
What is the InChIKey of 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol?
The InChIKey is KVWHCBWHDAUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O2.C22H18O2.C19H20O5.C18H12N2O2.C14H14O2/c1-5-21-12-14-24-26(17-21)19(3)16-28(33)31(24)32-25-15-13-22(6-2)20(4)30(25)27(18-29(32)34)23-10-8-7-9-11-23;1-13-11-15-7-4-6-10-18(15)22(24)20(13)21-14(2)17-9-5-3-8-16(17)12-19(21)23;1-10-8-14(21)16(12-4-3-7-22-18(10)12)17-13(20)5-6-15-19(17)23-9-11(2)24-15;21-15-8-7-14-12(5-3-9-19-14)17(15)18-11-4-1-2-6-13(11)20-10-16(18)22;1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h5,7-18,33-34H,1,6H2,2-4H3;3-12,23-24H,1-2H3;5-6,8,11,20-21H,3-4,7,9H2,1-2H3;1-10,21-22H;3-8,15-16H,1-2H3.
What are the key properties of 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol?
1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol has a molecular weight of 1589.89 g/mol, XLogP of 25.05, 8 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol is sourced from PubChem (CID 159255729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).