2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol

C26H26O6 — CID 101353677

IUPAC2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
SMILESCOc1cc(C)cc2c(O)c(-c3cc(OC)c4c(OC)cc(C)cc4c3O)cc(OC)c12
InChIInChI=1S/C26H26O6/c1-13-7-17-23(19(9-13)29-3)21(31-5)11-15(25(17)27)16-12-22(32-6)24-18(26(16)28)8-14(2)10-20(24)30-4/h7-12,27-28H,1-6H3
InChIKeyDZSWAKJVWRFEGF-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.72
Rot. Bonds5

About 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol

2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol (PubChem CID 101353677) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol.

Molecular Properties

Compound Name2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
PubChem CID101353677
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
SMILESCOc1cc(C)cc2c(O)c(-c3cc(OC)c4c(OC)cc(C)cc4c3O)cc(OC)c12
InChIInChI=1S/C26H26O6/c1-13-7-17-23(19(9-13)29-3)21(31-5)11-15(25(17)27)16-12-22(32-6)24-18(26(16)28)8-14(2)10-20(24)30-4/h7-12,27-28H,1-6H3
InChIKeyDZSWAKJVWRFEGF-UHFFFAOYSA-N
XLogP5.72
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol with MolForge

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Related Compounds

5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
4-bromo-8-methoxy-6-methylnaphthalen-1-ol
CID 163914656
1,3,8-trimethoxy-6-methylanthracen-9-ol
CID 11033842
9,10-dihydroxy-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-anthracen-1-one
CID 11243134
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione
CID 52942040
3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol
CID 72792790
2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol
CID 129016729
2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol
CID 132542220
(1R,3R)-7-[1-hydroxy-4-[4-hydroxy-3-[(1R,3R)-8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-6-methylnaphthalen-2-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 10771184
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol?
The IUPAC name of 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol (CID 101353677) is 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol.
What is the SMILES notation for 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol?
The canonical SMILES for 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol is COc1cc(C)cc2c(O)c(-c3cc(OC)c4c(OC)cc(C)cc4c3O)cc(OC)c12.
What is the InChIKey of 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol?
The InChIKey is DZSWAKJVWRFEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-13-7-17-23(19(9-13)29-3)21(31-5)11-15(25(17)27)16-12-22(32-6)24-18(26(16)28)8-14(2)10-20(24)30-4/h7-12,27-28H,1-6H3.
What are the key properties of 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol?
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol has a molecular weight of 434.49 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol is sourced from PubChem (CID 101353677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).