[2-(2,2-dichloroethenoxy)phenyl]methyl formate

C10H8Cl2O3 — CID 173450979

IUPAC[2-(2,2-dichloroethenoxy)phenyl]methyl formate
SMILESO=COCc1ccccc1OC=C(Cl)Cl
InChIInChI=1S/C10H8Cl2O3/c11-10(12)6-15-9-4-2-1-3-8(9)5-14-7-13/h1-4,6-7H,5H2
InChIKeyQQZFSHLOEOORDW-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.01
Rot. Bonds5

About [2-(2,2-dichloroethenoxy)phenyl]methyl formate

[2-(2,2-dichloroethenoxy)phenyl]methyl formate (PubChem CID 173450979) has the molecular formula C10H8Cl2O3 and a molecular weight of 247.08 g/mol. Its IUPAC name is [2-(2,2-dichloroethenoxy)phenyl]methyl formate.

Molecular Properties

Compound Name[2-(2,2-dichloroethenoxy)phenyl]methyl formate
PubChem CID173450979
Molecular FormulaC10H8Cl2O3
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Name[2-(2,2-dichloroethenoxy)phenyl]methyl formate
SMILESO=COCc1ccccc1OC=C(Cl)Cl
InChIInChI=1S/C10H8Cl2O3/c11-10(12)6-15-9-4-2-1-3-8(9)5-14-7-13/h1-4,6-7H,5H2
InChIKeyQQZFSHLOEOORDW-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-(2,2-dichloroethenoxy)phenyl]methyl 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

(2-sulfanylphenyl)methyl formate
CID 59818998
[2-(hydroxymethyl)phenyl] formate
CID 54203489
(2-prop-2-enylphenyl)methyl formate
CID 173226102
2-(2,2-dichloroethenoxy)benzamide
CID 141007549
benzene;(2-carbamoylphenyl)methyl formate
CID 174940813
2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium
CID 174491514
(3-chloronaphthalen-2-yl)methyl formate
CID 174885528
(2-benzylphenyl) formate
CID 146231957
anthracen-1-ylmethyl formate
CID 54364674
[2-(2-methylprop-1-enoxy)phenyl]methanol
CID 121219203
(2-propylphenyl) formate
CID 54498769
(2,3-dibromophenyl)methyl formate
CID 173425977

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dichloroethenoxy)phenyl]methyl formate?
The IUPAC name of [2-(2,2-dichloroethenoxy)phenyl]methyl formate (CID 173450979) is [2-(2,2-dichloroethenoxy)phenyl]methyl formate.
What is the SMILES notation for [2-(2,2-dichloroethenoxy)phenyl]methyl formate?
The canonical SMILES for [2-(2,2-dichloroethenoxy)phenyl]methyl formate is O=COCc1ccccc1OC=C(Cl)Cl.
What is the InChIKey of [2-(2,2-dichloroethenoxy)phenyl]methyl formate?
The InChIKey is QQZFSHLOEOORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O3/c11-10(12)6-15-9-4-2-1-3-8(9)5-14-7-13/h1-4,6-7H,5H2.
What are the key properties of [2-(2,2-dichloroethenoxy)phenyl]methyl formate?
[2-(2,2-dichloroethenoxy)phenyl]methyl formate has a molecular weight of 247.08 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dichloroethenoxy)phenyl]methyl formate is sourced from PubChem (CID 173450979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).