1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene

C39H32O6 — CID 157140983

IUPAC1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene
SMILESCC(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(C(Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C39H32O6/c1-38(40-32-17-7-2-8-18-32,41-33-19-9-3-10-20-33)42-37-29-27-31(28-30-37)39(43-34-21-11-4-12-22-34,44-35-23-13-5-14-24-35)45-36-25-15-6-16-26-36/h2-30H,1H3
InChIKeyAKELCYMBHLFPQF-UHFFFAOYSA-N
MW596.68 g/mol
LogP9.24
Rot. Bonds13

About 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene

1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene (PubChem CID 157140983) has the molecular formula C39H32O6 and a molecular weight of 596.68 g/mol. Its IUPAC name is 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene.

Molecular Properties

Compound Name1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene
PubChem CID157140983
Molecular FormulaC39H32O6
Molecular Weight596.68 g/mol
Exact Mass596.22
IUPAC Name1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene
SMILESCC(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(C(Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C39H32O6/c1-38(40-32-17-7-2-8-18-32,41-33-19-9-3-10-20-33)42-37-29-27-31(28-30-37)39(43-34-21-11-4-12-22-34,44-35-23-13-5-14-24-35)45-36-25-15-6-16-26-36/h2-30H,1H3
InChIKeyAKELCYMBHLFPQF-UHFFFAOYSA-N
XLogP9.24
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.68
LogP ≤ 59.24
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

2-iodopropan-2-yloxybenzene
CID 147876431
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
(methylsulfonyloxy-phenoxy-phenylmethyl) trifluoromethanesulfonate
CID 140988052
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
(4-tert-butylphenyl) diphenyl phosphite
CID 19796180
1-(azetidin-1-yl)-1-phenoxyethanol
CID 175949071
1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 163451177
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
CID 13463093
(1,2-diphenoxy-1,2,2-triphenylethyl)benzene
CID 10164874
1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene?
The IUPAC name of 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene (CID 157140983) is 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene.
What is the SMILES notation for 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene?
The canonical SMILES for 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene is CC(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(C(Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene?
The InChIKey is AKELCYMBHLFPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O6/c1-38(40-32-17-7-2-8-18-32,41-33-19-9-3-10-20-33)42-37-29-27-31(28-30-37)39(43-34-21-11-4-12-22-34,44-35-23-13-5-14-24-35)45-36-25-15-6-16-26-36/h2-30H,1H3.
What are the key properties of 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene?
1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene has a molecular weight of 596.68 g/mol, XLogP of 9.24, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene is sourced from PubChem (CID 157140983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).