[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate

C12H12Cl2O3 — CID 57217478

IUPAC[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate
SMILESCCOc1ccc(C2(OC=O)CC2(Cl)Cl)cc1
InChIInChI=1S/C12H12Cl2O3/c1-2-16-10-5-3-9(4-6-10)11(17-8-15)7-12(11,13)14/h3-6,8H,2,7H2,1H3
InChIKeyROJKVIBQGGENCP-UHFFFAOYSA-N
MW275.13 g/mol
LogP3.03
Rot. Bonds5

About [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate

[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate (PubChem CID 57217478) has the molecular formula C12H12Cl2O3 and a molecular weight of 275.13 g/mol. Its IUPAC name is [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate.

Molecular Properties

Compound Name[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate
PubChem CID57217478
Molecular FormulaC12H12Cl2O3
Molecular Weight275.13 g/mol
Exact Mass274.02
IUPAC Name[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate
SMILESCCOc1ccc(C2(OC=O)CC2(Cl)Cl)cc1
InChIInChI=1S/C12H12Cl2O3/c1-2-16-10-5-3-9(4-6-10)11(17-8-15)7-12(11,13)14/h3-6,8H,2,7H2,1H3
InChIKeyROJKVIBQGGENCP-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate 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

[(1S)-1-(4-ethoxyphenyl)-2,2,3,3-tetrafluorocyclobutyl] formate
CID 88627301
[1-(4-ethoxyphenyl)cyclobutyl] formate
CID 57134762
2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009061
1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83701496
1-(4-ethoxyphenyl)cyclopent-3-en-1-amine
CID 65353108
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016935
4-bromo-1-chloro-2-[(1S)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl]benzene
CID 139085254
2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
CID 87512433
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008279
[2-(4-ethoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358295
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602

Frequently Asked Questions

What is the IUPAC name of [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate?
The IUPAC name of [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate (CID 57217478) is [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate.
What is the SMILES notation for [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate?
The canonical SMILES for [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate is CCOc1ccc(C2(OC=O)CC2(Cl)Cl)cc1.
What is the InChIKey of [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate?
The InChIKey is ROJKVIBQGGENCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O3/c1-2-16-10-5-3-9(4-6-10)11(17-8-15)7-12(11,13)14/h3-6,8H,2,7H2,1H3.
What are the key properties of [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate?
[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate has a molecular weight of 275.13 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate is sourced from PubChem (CID 57217478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).