6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol

C159H166Br2O13 — CID 158191616

IUPAC6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
SMILESCOc1cc(C)c(-c2c(C)cc(C)c(C)c2C)c(O)c1.COc1cc(C)c(-c2c(O)ccc3cc(Br)ccc23)c(C)c1C.COc1cc(C)c(-c2c(O)ccc3ccccc23)c(C)c1C.Cc1cc(C)c(-c2c(C)cc(C)c(C)c2C)c(O)c1.Cc1cc(C)c(-c2c(O)ccc3cc(Br)ccc23)c(C)c1C.Cc1cc(C)c(-c2c(O)ccc3ccccc23)c(C)c1C.Cc1ccc2c(-c3c(C)cc(C)c(C)c3C)c(O)ccc2c1.Cc1ccc2ccc(O)c(-c3c(C)cc(C)c(C)c3C)c2c1.O=C=O
InChIInChI=1S/2C21H22O.C20H19BrO2.C20H19BrO.C20H20O2.C20H20O.C18H22O2.C18H22O.CO2/c1-12-6-8-18-17(10-12)7-9-19(22)21(18)20-14(3)11-13(2)15(4)16(20)5;1-12-6-7-17-8-9-19(22)21(18(17)10-12)20-14(3)11-13(2)15(4)16(20)5;1-11-9-18(23-4)12(2)13(3)19(11)20-16-7-6-15(21)10-14(16)5-8-17(20)22;1-11-9-12(2)19(14(4)13(11)3)20-17-7-6-16(21)10-15(17)5-8-18(20)22;1-12-11-18(22-4)13(2)14(3)19(12)20-16-8-6-5-7-15(16)9-10-17(20)21;1-12-11-13(2)19(15(4)14(12)3)20-17-8-6-5-7-16(17)9-10-18(20)21;1-10-7-11(2)17(14(5)13(10)4)18-12(3)8-15(20-6)9-16(18)19;1-10-7-12(3)18(16(19)8-10)17-13(4)9-11(2)14(5)15(17)6;2-1-3/h2*6-11,22H,1-5H3;5-10,22H,1-4H3;5-10,22H,1-4H3;5-11,21H,1-4H3;5-11,21H,1-4H3;7-9,19H,1-6H3;7-9,19H,1-6H3;
InChIKeyFZVBYNWVCWJGJF-UHFFFAOYSA-N
MW2444.87 g/mol
LogP43.15
Rot. Bonds11

About 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol

6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol (PubChem CID 158191616) has the molecular formula C159H166Br2O13 and a molecular weight of 2444.87 g/mol. Its IUPAC name is 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
PubChem CID158191616
Molecular FormulaC159H166Br2O13
Molecular Weight2444.87 g/mol
Exact Mass2441.07
IUPAC Name6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
SMILESCOc1cc(C)c(-c2c(C)cc(C)c(C)c2C)c(O)c1.COc1cc(C)c(-c2c(O)ccc3cc(Br)ccc23)c(C)c1C.COc1cc(C)c(-c2c(O)ccc3ccccc23)c(C)c1C.Cc1cc(C)c(-c2c(C)cc(C)c(C)c2C)c(O)c1.Cc1cc(C)c(-c2c(O)ccc3cc(Br)ccc23)c(C)c1C.Cc1cc(C)c(-c2c(O)ccc3ccccc23)c(C)c1C.Cc1ccc2c(-c3c(C)cc(C)c(C)c3C)c(O)ccc2c1.Cc1ccc2ccc(O)c(-c3c(C)cc(C)c(C)c3C)c2c1.O=C=O
InChIInChI=1S/2C21H22O.C20H19BrO2.C20H19BrO.C20H20O2.C20H20O.C18H22O2.C18H22O.CO2/c1-12-6-8-18-17(10-12)7-9-19(22)21(18)20-14(3)11-13(2)15(4)16(20)5;1-12-6-7-17-8-9-19(22)21(18(17)10-12)20-14(3)11-13(2)15(4)16(20)5;1-11-9-18(23-4)12(2)13(3)19(11)20-16-7-6-15(21)10-14(16)5-8-17(20)22;1-11-9-12(2)19(14(4)13(11)3)20-17-7-6-16(21)10-15(17)5-8-18(20)22;1-12-11-18(22-4)13(2)14(3)19(12)20-16-8-6-5-7-15(16)9-10-17(20)21;1-12-11-13(2)19(15(4)14(12)3)20-17-8-6-5-7-16(17)9-10-18(20)21;1-10-7-11(2)17(14(5)13(10)4)18-12(3)8-15(20-6)9-16(18)19;1-10-7-12(3)18(16(19)8-10)17-13(4)9-11(2)14(5)15(17)6;2-1-3/h2*6-11,22H,1-5H3;5-10,22H,1-4H3;5-10,22H,1-4H3;5-11,21H,1-4H3;5-11,21H,1-4H3;7-9,19H,1-6H3;7-9,19H,1-6H3;
InChIKeyFZVBYNWVCWJGJF-UHFFFAOYSA-N
XLogP43.15
TPSA223.67 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002444.87
LogP ≤ 543.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol?
The IUPAC name of 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol (CID 158191616) is 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol is COc1cc(C)c(-c2c(C)cc(C)c(C)c2C)c(O)c1.COc1cc(C)c(-c2c(O)ccc3cc(Br)ccc23)c(C)c1C.COc1cc(C)c(-c2c(O)ccc3ccccc23)c(C)c1C.Cc1cc(C)c(-c2c(C)cc(C)c(C)c2C)c(O)c1.Cc1cc(C)c(-c2c(O)ccc3cc(Br)ccc23)c(C)c1C.Cc1cc(C)c(-c2c(O)ccc3ccccc23)c(C)c1C.Cc1ccc2c(-c3c(C)cc(C)c(C)c3C)c(O)ccc2c1.Cc1ccc2ccc(O)c(-c3c(C)cc(C)c(C)c3C)c2c1.O=C=O.
What is the InChIKey of 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol?
The InChIKey is FZVBYNWVCWJGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22O.C20H19BrO2.C20H19BrO.C20H20O2.C20H20O.C18H22O2.C18H22O.CO2/c1-12-6-8-18-17(10-12)7-9-19(22)21(18)20-14(3)11-13(2)15(4)16(20)5;1-12-6-7-17-8-9-19(22)21(18(17)10-12)20-14(3)11-13(2)15(4)16(20)5;1-11-9-18(23-4)12(2)13(3)19(11)20-16-7-6-15(21)10-14(16)5-8-17(20)22;1-11-9-12(2)19(14(4)13(11)3)20-17-7-6-16(21)10-15(17)5-8-18(20)22;1-12-11-18(22-4)13(2)14(3)19(12)20-16-8-6-5-7-15(16)9-10-17(20)21;1-12-11-13(2)19(15(4)14(12)3)20-17-8-6-5-7-16(17)9-10-18(20)21;1-10-7-11(2)17(14(5)13(10)4)18-12(3)8-15(20-6)9-16(18)19;1-10-7-12(3)18(16(19)8-10)17-13(4)9-11(2)14(5)15(17)6;2-1-3/h2*6-11,22H,1-5H3;5-10,22H,1-4H3;5-10,22H,1-4H3;5-11,21H,1-4H3;5-11,21H,1-4H3;7-9,19H,1-6H3;7-9,19H,1-6H3;.
What are the key properties of 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol?
6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol has a molecular weight of 2444.87 g/mol, XLogP of 43.15, 11 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-bromo-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;carbon dioxide;3,5-dimethyl-2-(2,3,4,6-tetramethylphenyl)phenol;5-methoxy-3-methyl-2-(2,3,4,6-tetramethylphenyl)phenol;1-(4-methoxy-2,3,6-trimethylphenyl)naphthalen-2-ol;6-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;7-methyl-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol;1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol is sourced from PubChem (CID 158191616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).