2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid

C17H16N4O4 — CID 68979015

IUPAC2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid
SMILESCOc1ccc(Cn2nnc(-c3ccc(OC)c(C(=O)O)c3)n2)cc1
InChIInChI=1S/C17H16N4O4/c1-24-13-6-3-11(4-7-13)10-21-19-16(18-20-21)12-5-8-15(25-2)14(9-12)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyRCXMVUQWKISGNK-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.10
Rot. Bonds6

About 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid

2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid (PubChem CID 68979015) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid
PubChem CID68979015
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid
SMILESCOc1ccc(Cn2nnc(-c3ccc(OC)c(C(=O)O)c3)n2)cc1
InChIInChI=1S/C17H16N4O4/c1-24-13-6-3-11(4-7-13)10-21-19-16(18-20-21)12-5-8-15(25-2)14(9-12)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyRCXMVUQWKISGNK-UHFFFAOYSA-N
XLogP2.10
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid?
The IUPAC name of 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid (CID 68979015) is 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid is COc1ccc(Cn2nnc(-c3ccc(OC)c(C(=O)O)c3)n2)cc1.
What is the InChIKey of 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid?
The InChIKey is RCXMVUQWKISGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-24-13-6-3-11(4-7-13)10-21-19-16(18-20-21)12-5-8-15(25-2)14(9-12)17(22)23/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid?
2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid has a molecular weight of 340.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid is sourced from PubChem (CID 68979015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).