cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone

C24H20Cl2O3 — CID 53321972

IUPACcyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1)C1CC1
InChIInChI=1S/C24H20Cl2O3/c25-22-12-3-17(13-23(22)26)15-29-20-8-1-16(2-9-20)14-28-21-10-6-19(7-11-21)24(27)18-4-5-18/h1-3,6-13,18H,4-5,14-15H2
InChIKeyXFHJCIITKHDRKM-UHFFFAOYSA-N
MW427.33 g/mol
LogP6.74
Rot. Bonds8

About cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone

cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone (PubChem CID 53321972) has the molecular formula C24H20Cl2O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone
PubChem CID53321972
Molecular FormulaC24H20Cl2O3
Molecular Weight427.33 g/mol
Exact Mass426.08
IUPAC Namecyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1)C1CC1
InChIInChI=1S/C24H20Cl2O3/c25-22-12-3-17(13-23(22)26)15-29-20-8-1-16(2-9-20)14-28-21-10-6-19(7-11-21)24(27)18-4-5-18/h1-3,6-13,18H,4-5,14-15H2
InChIKeyXFHJCIITKHDRKM-UHFFFAOYSA-N
XLogP6.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone (CID 53321972) is cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone is O=C(c1ccc(OCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone?
The InChIKey is XFHJCIITKHDRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2O3/c25-22-12-3-17(13-23(22)26)15-29-20-8-1-16(2-9-20)14-28-21-10-6-19(7-11-21)24(27)18-4-5-18/h1-3,6-13,18H,4-5,14-15H2.
What are the key properties of cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone?
cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone has a molecular weight of 427.33 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone is sourced from PubChem (CID 53321972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).