3-(2,6-dichlorophenyl)propyl formate

C10H10Cl2O2 — CID 91575611

IUPAC3-(2,6-dichlorophenyl)propyl formate
SMILESO=COCCCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O2/c11-9-4-1-5-10(12)8(9)3-2-6-14-7-13/h1,4-5,7H,2-3,6H2
InChIKeyHMOUUULZBQBGAW-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.10
Rot. Bonds5

About 3-(2,6-dichlorophenyl)propyl formate

3-(2,6-dichlorophenyl)propyl formate (PubChem CID 91575611) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)propyl formate.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)propyl formate
PubChem CID91575611
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name3-(2,6-dichlorophenyl)propyl formate
SMILESO=COCCCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O2/c11-9-4-1-5-10(12)8(9)3-2-6-14-7-13/h1,4-5,7H,2-3,6H2
InChIKeyHMOUUULZBQBGAW-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)propyl formate?
The IUPAC name of 3-(2,6-dichlorophenyl)propyl formate (CID 91575611) is 3-(2,6-dichlorophenyl)propyl formate.
What is the SMILES notation for 3-(2,6-dichlorophenyl)propyl formate?
The canonical SMILES for 3-(2,6-dichlorophenyl)propyl formate is O=COCCCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)propyl formate?
The InChIKey is HMOUUULZBQBGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c11-9-4-1-5-10(12)8(9)3-2-6-14-7-13/h1,4-5,7H,2-3,6H2.
What are the key properties of 3-(2,6-dichlorophenyl)propyl formate?
3-(2,6-dichlorophenyl)propyl formate has a molecular weight of 233.09 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)propyl formate is sourced from PubChem (CID 91575611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).