methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate

C10H10N4O3 — CID 58482535

IUPACmethyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2cccc(O)c2)n1
InChIInChI=1S/C10H10N4O3/c1-17-9(16)6-14-12-10(11-13-14)7-3-2-4-8(15)5-7/h2-5,15H,6H2,1H3
InChIKeyPHOKOCSTFFPSBN-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.22
Rot. Bonds3

About methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate

methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate (PubChem CID 58482535) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate
PubChem CID58482535
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Namemethyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2cccc(O)c2)n1
InChIInChI=1S/C10H10N4O3/c1-17-9(16)6-14-12-10(11-13-14)7-3-2-4-8(15)5-7/h2-5,15H,6H2,1H3
InChIKeyPHOKOCSTFFPSBN-UHFFFAOYSA-N
XLogP0.22
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate (CID 58482535) is methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate is COC(=O)Cn1nnc(-c2cccc(O)c2)n1.
What is the InChIKey of methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate?
The InChIKey is PHOKOCSTFFPSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-9(16)6-14-12-10(11-13-14)7-3-2-4-8(15)5-7/h2-5,15H,6H2,1H3.
What are the key properties of methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate?
methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate has a molecular weight of 234.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 58482535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).