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

C16H14N4O3 — CID 5200231

IUPAC2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4O3/c21-15(22)10-20-18-16(17-19-20)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)
InChIKeyRBOVUUFALDIUJI-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.00
Rot. Bonds6

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

2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid (PubChem CID 5200231) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid
PubChem CID5200231
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4O3/c21-15(22)10-20-18-16(17-19-20)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)
InChIKeyRBOVUUFALDIUJI-UHFFFAOYSA-N
XLogP2.00
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid (CID 5200231) is 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid?
The InChIKey is RBOVUUFALDIUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-15(22)10-20-18-16(17-19-20)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22).
What are the key properties of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid?
2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid has a molecular weight of 310.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 5200231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).