2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid

C9H8N4O3 — CID 135761962

IUPAC2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(O)cc1
InChIInChI=1S/C9H8N4O3/c14-7-3-1-6(2-4-7)9-10-11-12-13(9)5-8(15)16/h1-4,14H,5H2,(H,15,16)
InChIKeySWAOCAJZHUEJHA-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.13
Rot. Bonds3

About 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid

2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid (PubChem CID 135761962) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
PubChem CID135761962
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(O)cc1
InChIInChI=1S/C9H8N4O3/c14-7-3-1-6(2-4-7)9-10-11-12-13(9)5-8(15)16/h1-4,14H,5H2,(H,15,16)
InChIKeySWAOCAJZHUEJHA-UHFFFAOYSA-N
XLogP0.13
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884
2-[5-(4-bromo-3-fluorophenyl)tetrazol-1-yl]acetic acid
CID 66041963
2-[5-(3,4,5-trifluorophenyl)tetrazol-1-yl]acetic acid
CID 66040770
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
2-[5-(5-phenylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427378
2-[5-(3-methylsulfonylphenyl)tetrazol-1-yl]acetic acid
CID 66043770
2-[5-(4-hydroxyphenyl)triazol-1-yl]acetic acid
CID 136999521
N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419682
2-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427362
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone
CID 9421864
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid (CID 135761962) is 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1ccc(O)cc1.
What is the InChIKey of 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid?
The InChIKey is SWAOCAJZHUEJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-7-3-1-6(2-4-7)9-10-11-12-13(9)5-8(15)16/h1-4,14H,5H2,(H,15,16).
What are the key properties of 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid?
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid has a molecular weight of 220.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 135761962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).