2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene

C28H26O4 — CID 174295636

IUPAC2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
SMILESCOc1cccc(-c2ccc(-c3ccc(-c4ccccc4OC)cc3OC)cc2OC)c1
InChIInChI=1S/C28H26O4/c1-29-22-9-7-8-19(16-22)24-14-13-21(18-27(24)31-3)25-15-12-20(17-28(25)32-4)23-10-5-6-11-26(23)30-2/h5-18H,1-4H3
InChIKeySDDFFDUQDRLERE-UHFFFAOYSA-N
MW426.51 g/mol
LogP6.72
Rot. Bonds7

About 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene

2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene (PubChem CID 174295636) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene.

Molecular Properties

Compound Name2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
PubChem CID174295636
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
SMILESCOc1cccc(-c2ccc(-c3ccc(-c4ccccc4OC)cc3OC)cc2OC)c1
InChIInChI=1S/C28H26O4/c1-29-22-9-7-8-19(16-22)24-14-13-21(18-27(24)31-3)25-15-12-20(17-28(25)32-4)23-10-5-6-11-26(23)30-2/h5-18H,1-4H3
InChIKeySDDFFDUQDRLERE-UHFFFAOYSA-N
XLogP6.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
CID 170456496
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
2-methoxy-6-(2-phenoxyphenyl)naphthalene
CID 173353712
2-(3-methoxyphenyl)-5-(4-methoxy-3-phenylphenyl)thiophene
CID 44542351

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene?
The IUPAC name of 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene (CID 174295636) is 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene.
What is the SMILES notation for 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene?
The canonical SMILES for 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene is COc1cccc(-c2ccc(-c3ccc(-c4ccccc4OC)cc3OC)cc2OC)c1.
What is the InChIKey of 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene?
The InChIKey is SDDFFDUQDRLERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O4/c1-29-22-9-7-8-19(16-22)24-14-13-21(18-27(24)31-3)25-15-12-20(17-28(25)32-4)23-10-5-6-11-26(23)30-2/h5-18H,1-4H3.
What are the key properties of 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene?
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene has a molecular weight of 426.51 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene is sourced from PubChem (CID 174295636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).