2-(3,4-dichlorophenoxy)propanoic acid;ethane

C11H14Cl2O3 — CID 142915874

IUPAC2-(3,4-dichlorophenoxy)propanoic acid;ethane
SMILESCC.CC(Oc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C9H8Cl2O3.C2H6/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6;1-2/h2-5H,1H3,(H,12,13);1-2H3
InChIKeySVLFXGMOVFDYDJ-UHFFFAOYSA-N
MW265.14 g/mol
LogP3.87
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)propanoic acid;ethane

2-(3,4-dichlorophenoxy)propanoic acid;ethane (PubChem CID 142915874) has the molecular formula C11H14Cl2O3 and a molecular weight of 265.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)propanoic acid;ethane.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)propanoic acid;ethane
PubChem CID142915874
Molecular FormulaC11H14Cl2O3
Molecular Weight265.14 g/mol
Exact Mass264.03
IUPAC Name2-(3,4-dichlorophenoxy)propanoic acid;ethane
SMILESCC.CC(Oc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C9H8Cl2O3.C2H6/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6;1-2/h2-5H,1H3,(H,12,13);1-2H3
InChIKeySVLFXGMOVFDYDJ-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenoxy)propanoic acid;ethane 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

(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
CID 138684246
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
4-(3,4-dichlorophenoxy)-2-methylbutanoic acid
CID 82091070
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
(4R)-4-(3,4-dichlorophenoxy)-1-phenylpentane-1,3-dione
CID 23625448
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)propanoic acid;ethane?
The IUPAC name of 2-(3,4-dichlorophenoxy)propanoic acid;ethane (CID 142915874) is 2-(3,4-dichlorophenoxy)propanoic acid;ethane.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)propanoic acid;ethane?
The canonical SMILES for 2-(3,4-dichlorophenoxy)propanoic acid;ethane is CC.CC(Oc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-(3,4-dichlorophenoxy)propanoic acid;ethane?
The InChIKey is SVLFXGMOVFDYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3.C2H6/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6;1-2/h2-5H,1H3,(H,12,13);1-2H3.
What are the key properties of 2-(3,4-dichlorophenoxy)propanoic acid;ethane?
2-(3,4-dichlorophenoxy)propanoic acid;ethane has a molecular weight of 265.14 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)propanoic acid;ethane is sourced from PubChem (CID 142915874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).