1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene

C26H30O6 — CID 86224004

IUPAC1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(OC)(OC)c2ccc(C(OC)(OC)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H30O6/c1-27-23-15-11-21(12-16-23)25(29-3,30-4)19-7-9-20(10-8-19)26(31-5,32-6)22-13-17-24(28-2)18-14-22/h7-18H,1-6H3
InChIKeyYEJPJBSPEZGWGJ-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.69
Rot. Bonds10

About 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene

1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene (PubChem CID 86224004) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
PubChem CID86224004
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(OC)(OC)c2ccc(C(OC)(OC)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H30O6/c1-27-23-15-11-21(12-16-23)25(29-3,30-4)19-7-9-20(10-8-19)26(31-5,32-6)22-13-17-24(28-2)18-14-22/h7-18H,1-6H3
InChIKeyYEJPJBSPEZGWGJ-UHFFFAOYSA-N
XLogP4.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde
CID 86643140
4-[[4-[dimethoxy-(4-methoxyphenyl)methyl]phenyl]-iodo-phenyl-λ4-sulfanyl]phenol
CID 169083088
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
CID 102373172
CID 102373172
1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 91491822
2-[dimethoxy-[4-(4-phenyliodanuidylphenoxy)phenyl]methyl]-6-methoxynaphthalene
CID 153448752
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene
CID 148766498
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
[6-[dimethoxy-(4-methoxyphenyl)methyl]-2-hydroxynaphthalen-1-yl]-diphenylsulfanium
CID 163994100

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene (CID 86224004) is 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene is COc1ccc(C(OC)(OC)c2ccc(C(OC)(OC)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene?
The InChIKey is YEJPJBSPEZGWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6/c1-27-23-15-11-21(12-16-23)25(29-3,30-4)19-7-9-20(10-8-19)26(31-5,32-6)22-13-17-24(28-2)18-14-22/h7-18H,1-6H3.
What are the key properties of 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene?
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene has a molecular weight of 438.52 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 86224004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).