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

C24H20Cl2O3 — CID 50906466

IUPACcyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1)C1CC1
InChIInChI=1S/C24H20Cl2O3/c25-22-11-4-17(13-23(22)26)15-29-21-3-1-2-16(12-21)14-28-20-9-7-19(8-10-20)24(27)18-5-6-18/h1-4,7-13,18H,5-6,14-15H2
InChIKeyDPCHYGSLXVPRAX-UHFFFAOYSA-N
MW427.33 g/mol
LogP6.74
Rot. Bonds8

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

cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone (PubChem CID 50906466) has the molecular formula C24H20Cl2O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone
PubChem CID50906466
Molecular FormulaC24H20Cl2O3
Molecular Weight427.33 g/mol
Exact Mass426.08
IUPAC Namecyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1)C1CC1
InChIInChI=1S/C24H20Cl2O3/c25-22-11-4-17(13-23(22)26)15-29-21-3-1-2-16(12-21)14-28-20-9-7-19(8-10-20)24(27)18-5-6-18/h1-4,7-13,18H,5-6,14-15H2
InChIKeyDPCHYGSLXVPRAX-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-chlorophenyl)methoxy]phenyl]-cyclopropylmethanone
CID 6482541
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
3-[(2,6-dichlorophenyl)methoxy]benzoyl chloride;3-[(3,4-dichlorophenyl)methoxy]benzoyl chloride;4-phenylmethoxybenzoyl chloride
CID 160785907
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 8815161
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8815293
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone (CID 50906466) is cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone is O=C(c1ccc(OCc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone?
The InChIKey is DPCHYGSLXVPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2O3/c25-22-11-4-17(13-23(22)26)15-29-21-3-1-2-16(12-21)14-28-20-9-7-19(8-10-20)24(27)18-5-6-18/h1-4,7-13,18H,5-6,14-15H2.
What are the key properties of cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone?
cyclopropyl-[4-[[3-[(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-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone is sourced from PubChem (CID 50906466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).