3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid

C11H10Cl2O3 — CID 116930158

IUPAC3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)cc2Cl)COC1
InChIInChI=1S/C11H10Cl2O3/c12-8-2-1-7(9(13)3-8)4-11(10(14)15)5-16-6-11/h1-3H,4-6H2,(H,14,15)
InChIKeyYJRKQNKKXAJBDD-UHFFFAOYSA-N
MW261.10 g/mol
LogP2.64
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid

3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid (PubChem CID 116930158) has the molecular formula C11H10Cl2O3 and a molecular weight of 261.10 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid
PubChem CID116930158
Molecular FormulaC11H10Cl2O3
Molecular Weight261.10 g/mol
Exact Mass260.00
IUPAC Name3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)cc2Cl)COC1
InChIInChI=1S/C11H10Cl2O3/c12-8-2-1-7(9(13)3-8)4-11(10(14)15)5-16-6-11/h1-3H,4-6H2,(H,14,15)
InChIKeyYJRKQNKKXAJBDD-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic 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

3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
CID 164649438
3-[(4-chloro-2-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 114851096
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424709
3-[(2,4-dichlorophenyl)methyl]-4-oxooxane-3-carboxylic acid
CID 106469942
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
CID 82293557
3-[(5-bromo-2-fluorophenyl)methyl]oxetane-3-carboxylic acid
CID 116930153
(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922633
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052
N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 55131600
3-[(2,5-dimethoxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116930077

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid (CID 116930158) is 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid is O=C(O)C1(Cc2ccc(Cl)cc2Cl)COC1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid?
The InChIKey is YJRKQNKKXAJBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O3/c12-8-2-1-7(9(13)3-8)4-11(10(14)15)5-16-6-11/h1-3H,4-6H2,(H,14,15).
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid?
3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid has a molecular weight of 261.10 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 116930158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).