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

C9H8N4O3 — CID 135648959

IUPAC2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H8N4O3/c14-7-3-1-6(2-4-7)9-10-12-13(11-9)5-8(15)16/h1-4,14H,5H2,(H,15,16)
InChIKeyKGEGZYWRLRBUCP-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.13
Rot. Bonds3

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

2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid (PubChem CID 135648959) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid
PubChem CID135648959
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H8N4O3/c14-7-3-1-6(2-4-7)9-10-12-13(11-9)5-8(15)16/h1-4,14H,5H2,(H,15,16)
InChIKeyKGEGZYWRLRBUCP-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

Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-
CID 300451
4-(2-Methyl-2H-tetrazol-5-yl)phenol
CID 135648956
4-(1H-1,2,3,4-tetrazol-5-yl)phenol
CID 863634
[5-(4-Propoxy-phenyl)-tetrazol-2-yl]-acetic acid ethyl ester
CID 649620
[5-(3-Methoxy-phenyl)-tetrazol-2-yl]-acetic acid
CID 653685
3-[5-(4-Methoxy-phenyl)-tetrazol-2-yl]-propionic acid
CID 860833
2-(5-(3,4-dihydroxyphenyl)-2H-tetrazol-2-yl)acetic acid
CID 135648960
Win 58768
CID 148372
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]phenol
CID 497166
2-(5-(4-(Benzyloxy)phenyl)-2H-tetrazol-2-yl)acetic acid
CID 5200231
2-[5-(4-Methoxyphenyl)tetrazol-2-yl]acetic acid
CID 1134043
2-[5-(4-Butoxyphenyl)tetrazol-2-yl]propanoic acid
CID 5004166

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid (CID 135648959) is 2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2ccc(O)cc2)n1.
What is the InChIKey of 2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid?
The InChIKey is KGEGZYWRLRBUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-7-3-1-6(2-4-7)9-10-12-13(11-9)5-8(15)16/h1-4,14H,5H2,(H,15,16).
What are the key properties of 2-[5-(4-hydroxyphenyl)tetrazol-2-yl]acetic acid?
2-[5-(4-hydroxyphenyl)tetrazol-2-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-2-yl]acetic acid is sourced from PubChem (CID 135648959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).