cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate

C27H22Cl2O3 — CID 24806758

IUPACcis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate
SMILESCOc1ccc2ccccc2c1-c1c(OC(=O)[C@@]2(C)[C@@H](C)C2(Cl)Cl)ccc2ccccc12
InChIInChI=1S/C27H22Cl2O3/c1-16-26(2,27(16,28)29)25(30)32-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)31-3/h4-16H,1-3H3/t16-,26-/m1/s1
InChIKeyWPYHUDPICIFOLS-AKJBCIBTSA-N
MW465.38 g/mol
LogP7.40
Rot. Bonds4

About cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate

cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate (PubChem CID 24806758) has the molecular formula C27H22Cl2O3 and a molecular weight of 465.38 g/mol. Its IUPAC name is cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate
PubChem CID24806758
Molecular FormulaC27H22Cl2O3
Molecular Weight465.38 g/mol
Exact Mass464.09
IUPAC Namecis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate
SMILESCOc1ccc2ccccc2c1-c1c(OC(=O)[C@@]2(C)[C@@H](C)C2(Cl)Cl)ccc2ccccc12
InChIInChI=1S/C27H22Cl2O3/c1-16-26(2,27(16,28)29)25(30)32-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)31-3/h4-16H,1-3H3/t16-,26-/m1/s1
InChIKeyWPYHUDPICIFOLS-AKJBCIBTSA-N
XLogP7.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate (CID 24806758) is cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate is COc1ccc2ccccc2c1-c1c(OC(=O)[C@@]2(C)[C@@H](C)C2(Cl)Cl)ccc2ccccc12.
What is the InChIKey of cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate?
The InChIKey is WPYHUDPICIFOLS-AKJBCIBTSA-N. The full InChI is InChI=1S/C27H22Cl2O3/c1-16-26(2,27(16,28)29)25(30)32-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)31-3/h4-16H,1-3H3/t16-,26-/m1/s1.
What are the key properties of cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate?
cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate has a molecular weight of 465.38 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 24806758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).