1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene

C28H26O6 — CID 11419749

IUPAC1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
SMILESCOc1cc(Oc2ccccc2)c(-c2cc(OC)c(OC)cc2Oc2ccccc2)cc1OC
InChIInChI=1S/C28H26O6/c1-29-25-15-21(23(17-27(25)31-3)33-19-11-7-5-8-12-19)22-16-26(30-2)28(32-4)18-24(22)34-20-13-9-6-10-14-20/h5-18H,1-4H3
InChIKeyVXWDOBVHBOQXFF-UHFFFAOYSA-N
MW458.51 g/mol
LogP6.97
Rot. Bonds9

About 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene

1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene (PubChem CID 11419749) has the molecular formula C28H26O6 and a molecular weight of 458.51 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
PubChem CID11419749
Molecular FormulaC28H26O6
Molecular Weight458.51 g/mol
Exact Mass458.17
IUPAC Name1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
SMILESCOc1cc(Oc2ccccc2)c(-c2cc(OC)c(OC)cc2Oc2ccccc2)cc1OC
InChIInChI=1S/C28H26O6/c1-29-25-15-21(23(17-27(25)31-3)33-19-11-7-5-8-12-19)22-16-26(30-2)28(32-4)18-24(22)34-20-13-9-6-10-14-20/h5-18H,1-4H3
InChIKeyVXWDOBVHBOQXFF-UHFFFAOYSA-N
XLogP6.97
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene with MolForge

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Related Compounds

4,5-dimethoxy-2-phenoxyaniline
CID 83008509
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
4-methoxy-2-phenoxynaphthalen-1-ol
CID 19872952
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966
1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene
CID 168868572
1,3-dimethoxy-2-methyl-4-phenoxybenzene
CID 22071605
4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398
4,6-diphenoxybenzene-1,3-diol
CID 90212443
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene?
The IUPAC name of 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene (CID 11419749) is 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene.
What is the SMILES notation for 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene?
The canonical SMILES for 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene is COc1cc(Oc2ccccc2)c(-c2cc(OC)c(OC)cc2Oc2ccccc2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene?
The InChIKey is VXWDOBVHBOQXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O6/c1-29-25-15-21(23(17-27(25)31-3)33-19-11-7-5-8-12-19)22-16-26(30-2)28(32-4)18-24(22)34-20-13-9-6-10-14-20/h5-18H,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene?
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene has a molecular weight of 458.51 g/mol, XLogP of 6.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene is sourced from PubChem (CID 11419749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).