2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid

C11H15ClO3 — CID 83823884

IUPAC2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(C(=O)O)c1ccc(Cl)o1
InChIInChI=1S/C11H15ClO3/c1-11(2,3)6-7(10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyDVZFINZAWMZQAV-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.54
Rot. Bonds3

About 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid

2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid (PubChem CID 83823884) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid
PubChem CID83823884
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(C(=O)O)c1ccc(Cl)o1
InChIInChI=1S/C11H15ClO3/c1-11(2,3)6-7(10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyDVZFINZAWMZQAV-UHFFFAOYSA-N
XLogP3.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic 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

2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid
CID 117240781
methyl 2-(5-chlorofuran-2-yl)-3-(dimethylamino)propanoate
CID 117240819
2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid
CID 175095952
2-(2-amino-3,5-dimethylphenyl)-4,4-dimethylpentanoic acid
CID 106987402
(2S)-2-[(5-chlorofuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61144631
methyl 2-amino-2-(5-chlorofuran-2-yl)acetate
CID 130062270
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
ethyl (3S)-3-amino-3-(5-chlorofuran-2-yl)propanoate
CID 171233148
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
methyl 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoate
CID 117240782
1-(5-chlorofuran-2-yl)propane-1,2-diamine
CID 131059514

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid?
The IUPAC name of 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid (CID 83823884) is 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid is CC(C)(C)CC(C(=O)O)c1ccc(Cl)o1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid?
The InChIKey is DVZFINZAWMZQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-11(2,3)6-7(10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid?
2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid has a molecular weight of 230.69 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-4,4-dimethylpentanoic acid is sourced from PubChem (CID 83823884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).