1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene

C23H22Cl2O2 — CID 3068471

IUPAC1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene
SMILESCC(C)(COCc1cc(Oc2ccccc2)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2O2/c1-23(2,18-8-10-19(24)11-9-18)16-26-15-17-14-21(12-13-22(17)25)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeySBOXLEYOAFOTAY-UHFFFAOYSA-N
MW401.33 g/mol
LogP7.28
Rot. Bonds7

About 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene

1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene (PubChem CID 3068471) has the molecular formula C23H22Cl2O2 and a molecular weight of 401.33 g/mol. Its IUPAC name is 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene.

Molecular Properties

Compound Name1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene
PubChem CID3068471
Molecular FormulaC23H22Cl2O2
Molecular Weight401.33 g/mol
Exact Mass400.10
IUPAC Name1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene
SMILESCC(C)(COCc1cc(Oc2ccccc2)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2O2/c1-23(2,18-8-10-19(24)11-9-18)16-26-15-17-14-21(12-13-22(17)25)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeySBOXLEYOAFOTAY-UHFFFAOYSA-N
XLogP7.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene?
The IUPAC name of 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene (CID 3068471) is 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene.
What is the SMILES notation for 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene?
The canonical SMILES for 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene is CC(C)(COCc1cc(Oc2ccccc2)ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene?
The InChIKey is SBOXLEYOAFOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2O2/c1-23(2,18-8-10-19(24)11-9-18)16-26-15-17-14-21(12-13-22(17)25)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene?
1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene has a molecular weight of 401.33 g/mol, XLogP of 7.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-4-phenoxybenzene is sourced from PubChem (CID 3068471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).