[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone

C39H38Cl4O8 — CID 159050784

IUPAC[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone
SMILESCCOc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(Cl)Cl)cc1.COc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(Cl)Cl)cc1
InChIInChI=1S/C20H20Cl2O4.C19H18Cl2O4/c1-4-26-13-7-5-12(6-8-13)17-18(20(17,21)22)19(23)15-11-14(24-2)9-10-16(15)25-3;1-23-12-6-4-11(5-7-12)16-17(19(16,20)21)18(22)14-10-13(24-2)8-9-15(14)25-3/h5-11,17-18H,4H2,1-3H3;4-10,16-17H,1-3H3
InChIKeyJXFVZBHWNOLRPP-UHFFFAOYSA-N
MW776.54 g/mol
LogP9.36
Rot. Bonds13

About [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone

[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone (PubChem CID 159050784) has the molecular formula C39H38Cl4O8 and a molecular weight of 776.54 g/mol. Its IUPAC name is [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone
PubChem CID159050784
Molecular FormulaC39H38Cl4O8
Molecular Weight776.54 g/mol
Exact Mass774.13
IUPAC Name[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone
SMILESCCOc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(Cl)Cl)cc1.COc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(Cl)Cl)cc1
InChIInChI=1S/C20H20Cl2O4.C19H18Cl2O4/c1-4-26-13-7-5-12(6-8-13)17-18(20(17,21)22)19(23)15-11-14(24-2)9-10-16(15)25-3;1-23-12-6-4-11(5-7-12)16-17(19(16,20)21)18(22)14-10-13(24-2)8-9-15(14)25-3/h5-11,17-18H,4H2,1-3H3;4-10,16-17H,1-3H3
InChIKeyJXFVZBHWNOLRPP-UHFFFAOYSA-N
XLogP9.36
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.54
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)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

(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone
CID 162254995
(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone
CID 22491338
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108693091
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
3-bromo-1-(5-ethoxy-2-methoxyphenyl)propan-1-one
CID 134625052
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393

Frequently Asked Questions

What is the IUPAC name of [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone (CID 159050784) is [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone is CCOc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(Cl)Cl)cc1.COc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(Cl)Cl)cc1.
What is the InChIKey of [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone?
The InChIKey is JXFVZBHWNOLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2O4.C19H18Cl2O4/c1-4-26-13-7-5-12(6-8-13)17-18(20(17,21)22)19(23)15-11-14(24-2)9-10-16(15)25-3;1-23-12-6-4-11(5-7-12)16-17(19(16,20)21)18(22)14-10-13(24-2)8-9-15(14)25-3/h5-11,17-18H,4H2,1-3H3;4-10,16-17H,1-3H3.
What are the key properties of [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone?
[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone has a molecular weight of 776.54 g/mol, XLogP of 9.36, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 159050784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).