[2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate

C11H12Cl2O2 — CID 88798373

IUPAC[2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate
SMILESCc1cccc(Cl)c1CC(Cl)COC=O
InChIInChI=1S/C11H12Cl2O2/c1-8-3-2-4-11(13)10(8)5-9(12)6-15-7-14/h2-4,7,9H,5-6H2,1H3
InChIKeyJSEQBJKHMFOGOG-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.97
Rot. Bonds5

About [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate

[2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate (PubChem CID 88798373) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate.

Molecular Properties

Compound Name[2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate
PubChem CID88798373
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name[2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate
SMILESCc1cccc(Cl)c1CC(Cl)COC=O
InChIInChI=1S/C11H12Cl2O2/c1-8-3-2-4-11(13)10(8)5-9(12)6-15-7-14/h2-4,7,9H,5-6H2,1H3
InChIKeyJSEQBJKHMFOGOG-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 70611022
3-(2,6-dichlorophenyl)propyl formate
CID 91575611
2-bromo-1-(2-chloro-6-methylphenyl)hexan-3-one
CID 66248813
3-(2,6-dimethylphenyl)propanal
CID 73014071
CID 140826953
CID 140826953
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
(2-chloro-6-methylphenyl)methanesulfonamide
CID 86163288
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
2-[(2,6-dichlorophenyl)methoxy]propanal
CID 71342510
dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399
2-(2-chloro-6-methylphenyl)acetonitrile
CID 54246120

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate?
The IUPAC name of [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate (CID 88798373) is [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate.
What is the SMILES notation for [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate?
The canonical SMILES for [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate is Cc1cccc(Cl)c1CC(Cl)COC=O.
What is the InChIKey of [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate?
The InChIKey is JSEQBJKHMFOGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-8-3-2-4-11(13)10(8)5-9(12)6-15-7-14/h2-4,7,9H,5-6H2,1H3.
What are the key properties of [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate?
[2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate has a molecular weight of 247.12 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate is sourced from PubChem (CID 88798373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).