7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol

C26H26O6 — CID 13468240

IUPAC7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol
SMILESCOc1c(C)c(-c2c(C)c(OC)c3cccc(O)c3c2OC)c(OC)c2c(O)cccc12
InChIInChI=1S/C26H26O6/c1-13-19(25(31-5)21-15(23(13)29-3)9-7-11-17(21)27)20-14(2)24(30-4)16-10-8-12-18(28)22(16)26(20)32-6/h7-12,27-28H,1-6H3
InChIKeyKRFLZGCUCWUDMI-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.72
Rot. Bonds5

About 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol

7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol (PubChem CID 13468240) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol.

Molecular Properties

Compound Name7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol
PubChem CID13468240
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol
SMILESCOc1c(C)c(-c2c(C)c(OC)c3cccc(O)c3c2OC)c(OC)c2c(O)cccc12
InChIInChI=1S/C26H26O6/c1-13-19(25(31-5)21-15(23(13)29-3)9-7-11-17(21)27)20-14(2)24(30-4)16-10-8-12-18(28)22(16)26(20)32-6/h7-12,27-28H,1-6H3
InChIKeyKRFLZGCUCWUDMI-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

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Related Compounds

8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde
CID 163029200
4-methoxy-2,3-dimethylanthracene-1,5,9-triol
CID 101395621
6-bromo-5,8-dimethoxynaphthalen-1-ol
CID 15489720
5-chloro-7,8-dimethoxynaphthalen-1-ol
CID 86132607
5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol
CID 73212224
2,3-dimethoxy-5-methylnaphthalene-1,4-diol
CID 21399669
2-(2-methoxy-3,4,5,6-tetramethylphenyl)phenol
CID 21315494
3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
CID 57011726
2-methoxy-3-(methylamino)phenol
CID 68789660
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
3-methoxy-2-phenyl-1H-indol-4-ol
CID 3024283
2-methylbenzene-1,3-diol
CID 139200813

Frequently Asked Questions

What is the IUPAC name of 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol?
The IUPAC name of 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol (CID 13468240) is 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol.
What is the SMILES notation for 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol?
The canonical SMILES for 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol is COc1c(C)c(-c2c(C)c(OC)c3cccc(O)c3c2OC)c(OC)c2c(O)cccc12.
What is the InChIKey of 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol?
The InChIKey is KRFLZGCUCWUDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-13-19(25(31-5)21-15(23(13)29-3)9-7-11-17(21)27)20-14(2)24(30-4)16-10-8-12-18(28)22(16)26(20)32-6/h7-12,27-28H,1-6H3.
What are the key properties of 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol?
7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-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 7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol is sourced from PubChem (CID 13468240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).