propyl 2,5-dichlorobenzoate

C10H10Cl2O2 — CID 43389536

IUPACpropyl 2,5-dichlorobenzoate
SMILESCCCOC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5H2,1H3
InChIKeyPFHLPMUSHXAORT-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.56
Rot. Bonds3

About propyl 2,5-dichlorobenzoate

propyl 2,5-dichlorobenzoate (PubChem CID 43389536) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is propyl 2,5-dichlorobenzoate.

Molecular Properties

Compound Namepropyl 2,5-dichlorobenzoate
PubChem CID43389536
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Namepropyl 2,5-dichlorobenzoate
SMILESCCCOC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5H2,1H3
InChIKeyPFHLPMUSHXAORT-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propyl 2,5-dichlorobenzoate 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

hexadecyl 2,5-dichlorobenzoate
CID 100931505
propyl 5-chloro-2-hydroxybenzoate
CID 43389601
propyl 2-amino-4-chlorobenzoate
CID 28690133
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
propyl 2-bromo-4-chlorobenzoate
CID 103766992
propyl 2,3,5-trichlorobenzoate
CID 22448170
3-(diethylamino)propyl 2,5-dichlorobenzoate
CID 3027468
2-propoxyethyl 5-amino-2-chlorobenzoate
CID 63686521
heptyl 5-chloro-2-fluorobenzoate
CID 63840188
2-propoxyethyl 2-chloro-5-sulfanylbenzoate
CID 107018766
hexyl 2-amino-5-chlorobenzoate
CID 63447328
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056

Frequently Asked Questions

What is the IUPAC name of propyl 2,5-dichlorobenzoate?
The IUPAC name of propyl 2,5-dichlorobenzoate (CID 43389536) is propyl 2,5-dichlorobenzoate.
What is the SMILES notation for propyl 2,5-dichlorobenzoate?
The canonical SMILES for propyl 2,5-dichlorobenzoate is CCCOC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of propyl 2,5-dichlorobenzoate?
The InChIKey is PFHLPMUSHXAORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5H2,1H3.
What are the key properties of propyl 2,5-dichlorobenzoate?
propyl 2,5-dichlorobenzoate has a molecular weight of 233.09 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,5-dichlorobenzoate is sourced from PubChem (CID 43389536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).