2,4-dichloro-3-propylbenzoic acid

C10H10Cl2O2 — CID 67726803

IUPAC2,4-dichloro-3-propylbenzoic acid
SMILESCCCc1c(Cl)ccc(C(=O)O)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-3-6-8(11)5-4-7(9(6)12)10(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyCJHPHBFXGZRRBZ-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.64
Rot. Bonds3

About 2,4-dichloro-3-propylbenzoic acid

2,4-dichloro-3-propylbenzoic acid (PubChem CID 67726803) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2,4-dichloro-3-propylbenzoic acid.

Molecular Properties

Compound Name2,4-dichloro-3-propylbenzoic acid
PubChem CID67726803
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2,4-dichloro-3-propylbenzoic acid
SMILESCCCc1c(Cl)ccc(C(=O)O)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-3-6-8(11)5-4-7(9(6)12)10(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyCJHPHBFXGZRRBZ-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-3-[3-(2-chloro-3-pyridinyl)propyl]benzoic acid
CID 174989966
4-chloro-3-ethyl-2-fluorobenzoic acid
CID 171366815
1,3-dichloro-2,4-dipropylbenzene
CID 54410685
4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
sodium;hydride;2,3,4-trichlorobenzoic acid
CID 174433618
2,4-dichloro-3-[[diethyl(oxo)-λ6-sulfanylidene]amino]benzoic acid
CID 118534024
2,4-dichloro-3-methylsulfanylbenzoic acid
CID 151077438
3-chloro-4-methyl-2-propylbenzamide
CID 141280601
1-(2-butyl-3,4-dichlorophenyl)ethanone
CID 67116165
2-chloro-4-tributylstannylbenzoic acid
CID 177426097
4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanylbenzoic acid
CID 18950329
2,4-dichloro-3-[2-[(2-chloro-3-pyridinyl)methylamino]propyl]benzoic acid
CID 174997931

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-propylbenzoic acid?
The IUPAC name of 2,4-dichloro-3-propylbenzoic acid (CID 67726803) is 2,4-dichloro-3-propylbenzoic acid.
What is the SMILES notation for 2,4-dichloro-3-propylbenzoic acid?
The canonical SMILES for 2,4-dichloro-3-propylbenzoic acid is CCCc1c(Cl)ccc(C(=O)O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-propylbenzoic acid?
The InChIKey is CJHPHBFXGZRRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-2-3-6-8(11)5-4-7(9(6)12)10(13)14/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 2,4-dichloro-3-propylbenzoic acid?
2,4-dichloro-3-propylbenzoic acid has a molecular weight of 233.09 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-propylbenzoic acid is sourced from PubChem (CID 67726803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).