2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid

C13H14Cl2O3 — CID 2763

💊View drug profile → ciprofibrate
IUPAC2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
InChIInChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
InChIKeyKPSRODZRAIWAKH-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.59
Rot. Bonds4

About 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid

2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid (PubChem CID 2763) has the molecular formula C13H14Cl2O3 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
PubChem CID2763
Molecular FormulaC13H14Cl2O3
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
InChIInChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
InChIKeyKPSRODZRAIWAKH-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid 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

Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-
CID 3066832
2-(4-Biphenylyloxy)propionic acid
CID 101181
2-(4-Propylphenoxy)acetic acid
CID 348580
4-Isopropylphenoxyacetic acid
CID 137131
2-(4-Tert-butylphenoxy)propanoic acid
CID 246868
Ciprofibrate, (S)-
CID 6603766
2-Methyl-2-(p-tolyloxy)propanoic acid
CID 168111
Propionic acid, 2-methyl-2-(m-tolyloxy)-
CID 171270
Ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionate
CID 103600
4-(2,2-Dichlorocyclopropyl)phenyl acetate
CID 11390908
2-methyl-2-[3-[(Z)-pentadec-8-enyl]phenoxy]propanoic acid
CID 168288255
2-[4-(Sec-butyl)phenoxy]acetic acid
CID 2913835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid (CID 2763) is 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid?
The InChIKey is KPSRODZRAIWAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid?
2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid has a molecular weight of 289.16 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 2763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).