2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid

C18H14N4O4 — CID 139029651

IUPAC2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid
SMILESCOc1ccc(-c2oc3ccc(-n4cnnn4)cc3c2CC(=O)O)cc1
InChIInChI=1S/C18H14N4O4/c1-25-13-5-2-11(3-6-13)18-15(9-17(23)24)14-8-12(4-7-16(14)26-18)22-10-19-20-21-22/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyIJSWIZYWBUGJBJ-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.71
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid

2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid (PubChem CID 139029651) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid
PubChem CID139029651
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid
SMILESCOc1ccc(-c2oc3ccc(-n4cnnn4)cc3c2CC(=O)O)cc1
InChIInChI=1S/C18H14N4O4/c1-25-13-5-2-11(3-6-13)18-15(9-17(23)24)14-8-12(4-7-16(14)26-18)22-10-19-20-21-22/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyIJSWIZYWBUGJBJ-UHFFFAOYSA-N
XLogP2.71
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
CID 155486622
2-[5-(2-benzyltetrazol-5-yl)-7-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
CID 139029663
[4-(tetrazol-1-yl)phenyl] 4-methoxybenzoate
CID 20896810
[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7758660
2-[2-benzylidene-7-(4-methoxyphenyl)-3-oxofuro[2,3-e][1]benzofuran-8-yl]acetic acid
CID 163094340
3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 122640774
(E)-3-(4-methoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 171352894
2-[7-(4-methoxyphenyl)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]furo[2,3-e][1]benzofuran-8-yl]acetic acid
CID 162938419
2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid
CID 70908973
3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 135358335
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid (CID 139029651) is 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid is COc1ccc(-c2oc3ccc(-n4cnnn4)cc3c2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid?
The InChIKey is IJSWIZYWBUGJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-25-13-5-2-11(3-6-13)18-15(9-17(23)24)14-8-12(4-7-16(14)26-18)22-10-19-20-21-22/h2-8,10H,9H2,1H3,(H,23,24).
What are the key properties of 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid?
2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid has a molecular weight of 350.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 139029651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).