2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid

C19H20N4O4 — CID 6486788

IUPAC2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)n1nnc(-c2ccc(OCc3ccccc3)c(OC)c2)n1
InChIInChI=1S/C19H20N4O4/c1-3-15(19(24)25)23-21-18(20-22-23)14-9-10-16(17(11-14)26-2)27-12-13-7-5-4-6-8-13/h4-11,15H,3,12H2,1-2H3,(H,24,25)
InChIKeyPDOIVHWVZKGWJZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.96
Rot. Bonds8

About 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid

2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid (PubChem CID 6486788) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid
PubChem CID6486788
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)n1nnc(-c2ccc(OCc3ccccc3)c(OC)c2)n1
InChIInChI=1S/C19H20N4O4/c1-3-15(19(24)25)23-21-18(20-22-23)14-9-10-16(17(11-14)26-2)27-12-13-7-5-4-6-8-13/h4-11,15H,3,12H2,1-2H3,(H,24,25)
InChIKeyPDOIVHWVZKGWJZ-UHFFFAOYSA-N
XLogP2.96
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid?
The IUPAC name of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid (CID 6486788) is 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid.
What is the SMILES notation for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid?
The canonical SMILES for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid is CCC(C(=O)O)n1nnc(-c2ccc(OCc3ccccc3)c(OC)c2)n1.
What is the InChIKey of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid?
The InChIKey is PDOIVHWVZKGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-3-15(19(24)25)23-21-18(20-22-23)14-9-10-16(17(11-14)26-2)27-12-13-7-5-4-6-8-13/h4-11,15H,3,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid?
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid has a molecular weight of 368.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 6486788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).