2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid

C14H17ClN4O3 — CID 82226178

IUPAC2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
SMILESCCCCC(C(=O)O)n1nnnc1COc1ccccc1Cl
InChIInChI=1S/C14H17ClN4O3/c1-2-3-7-11(14(20)21)19-13(16-17-18-19)9-22-12-8-5-4-6-10(12)15/h4-6,8,11H,2-3,7,9H2,1H3,(H,20,21)
InChIKeyKZIFAQSBWXSWFZ-UHFFFAOYSA-N
MW324.77 g/mol
LogP2.72
Rot. Bonds8

About 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid

2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid (PubChem CID 82226178) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid.

Molecular Properties

Compound Name2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
PubChem CID82226178
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
SMILESCCCCC(C(=O)O)n1nnnc1COc1ccccc1Cl
InChIInChI=1S/C14H17ClN4O3/c1-2-3-7-11(14(20)21)19-13(16-17-18-19)9-22-12-8-5-4-6-10(12)15/h4-6,8,11H,2-3,7,9H2,1H3,(H,20,21)
InChIKeyKZIFAQSBWXSWFZ-UHFFFAOYSA-N
XLogP2.72
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic 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-[(2-chlorophenoxy)methyl]tetrazol-1-yl]-3-methylpentanoic acid
CID 82225858
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 82226164
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
CID 82226060
ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate
CID 71692586
2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
CID 82226143
2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid
CID 82226047
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid
CID 82226046
2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid
CID 82226192
2-[3-(2-chlorophenoxy)propyl]propanedioic acid
CID 174289413
2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
CID 82226071
2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
CID 43630726
2-[(2-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187272

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid?
The IUPAC name of 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid (CID 82226178) is 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid.
What is the SMILES notation for 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid?
The canonical SMILES for 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid is CCCCC(C(=O)O)n1nnnc1COc1ccccc1Cl.
What is the InChIKey of 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid?
The InChIKey is KZIFAQSBWXSWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-2-3-7-11(14(20)21)19-13(16-17-18-19)9-22-12-8-5-4-6-10(12)15/h4-6,8,11H,2-3,7,9H2,1H3,(H,20,21).
What are the key properties of 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid?
2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid has a molecular weight of 324.77 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid is sourced from PubChem (CID 82226178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).