2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene

C23H26O4 — CID 161043902

IUPAC2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene
SMILESCOc1ccc2cc(-c3c(C)c(OC)c(C)c(C)c3OC)c(OC)cc2c1
InChIInChI=1S/C23H26O4/c1-13-14(2)23(27-7)21(15(3)22(13)26-6)19-11-16-8-9-18(24-4)10-17(16)12-20(19)25-5/h8-12H,1-7H3
InChIKeyRJHLIXKXXLLCMH-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.47
Rot. Bonds5

About 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene

2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene (PubChem CID 161043902) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene.

Molecular Properties

Compound Name2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene
PubChem CID161043902
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene
SMILESCOc1ccc2cc(-c3c(C)c(OC)c(C)c(C)c3OC)c(OC)cc2c1
InChIInChI=1S/C23H26O4/c1-13-14(2)23(27-7)21(15(3)22(13)26-6)19-11-16-8-9-18(24-4)10-17(16)12-20(19)25-5/h8-12H,1-7H3
InChIKeyRJHLIXKXXLLCMH-UHFFFAOYSA-N
XLogP5.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene?
The IUPAC name of 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene (CID 161043902) is 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene.
What is the SMILES notation for 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene?
The canonical SMILES for 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene is COc1ccc2cc(-c3c(C)c(OC)c(C)c(C)c3OC)c(OC)cc2c1.
What is the InChIKey of 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene?
The InChIKey is RJHLIXKXXLLCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-13-14(2)23(27-7)21(15(3)22(13)26-6)19-11-16-8-9-18(24-4)10-17(16)12-20(19)25-5/h8-12H,1-7H3.
What are the key properties of 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene?
2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene has a molecular weight of 366.46 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene is sourced from PubChem (CID 161043902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).