1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene

C26H30O3 — CID 58297984

IUPAC1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
SMILESCOc1ccccc1C(c1ccc(OC)c(C)c1C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C26H30O3/c1-16-18(3)23(27-5)14-12-20(16)26(22-10-8-9-11-25(22)29-7)21-13-15-24(28-6)19(4)17(21)2/h8-15,26H,1-7H3
InChIKeyVQBQXGORTMFCQU-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.13
Rot. Bonds6

About 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene

1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene (PubChem CID 58297984) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
PubChem CID58297984
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
SMILESCOc1ccccc1C(c1ccc(OC)c(C)c1C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C26H30O3/c1-16-18(3)23(27-5)14-12-20(16)26(22-10-8-9-11-25(22)29-7)21-13-15-24(28-6)19(4)17(21)2/h8-15,26H,1-7H3
InChIKeyVQBQXGORTMFCQU-UHFFFAOYSA-N
XLogP6.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
1-methoxy-2-methylbenzene;1-methoxy-2,3,4-trimethylbenzene
CID 175567040
1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
CID 116914495
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
[2-[[2-di(propan-2-yl)phosphanylphenyl]-(2-methoxyphenyl)methyl]phenyl]-di(propan-2-yl)phosphane
CID 139112665
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene (CID 58297984) is 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene is COc1ccccc1C(c1ccc(OC)c(C)c1C)c1ccc(OC)c(C)c1C.
What is the InChIKey of 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene?
The InChIKey is VQBQXGORTMFCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-16-18(3)23(27-5)14-12-20(16)26(22-10-8-9-11-25(22)29-7)21-13-15-24(28-6)19(4)17(21)2/h8-15,26H,1-7H3.
What are the key properties of 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene?
1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene has a molecular weight of 390.52 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 58297984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).