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

C18H18N4O4 — CID 68978866

IUPACmethyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate
SMILESCOC(=O)c1cc(-c2nnn(Cc3ccc(OC)cc3)n2)ccc1OC
InChIInChI=1S/C18H18N4O4/c1-24-14-7-4-12(5-8-14)11-22-20-17(19-21-22)13-6-9-16(25-2)15(10-13)18(23)26-3/h4-10H,11H2,1-3H3
InChIKeyPCCISYNJPDTOKN-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.19
Rot. Bonds6

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

methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate (PubChem CID 68978866) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate
PubChem CID68978866
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Namemethyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate
SMILESCOC(=O)c1cc(-c2nnn(Cc3ccc(OC)cc3)n2)ccc1OC
InChIInChI=1S/C18H18N4O4/c1-24-14-7-4-12(5-8-14)11-22-20-17(19-21-22)13-6-9-16(25-2)15(10-13)18(23)26-3/h4-10H,11H2,1-3H3
InChIKeyPCCISYNJPDTOKN-UHFFFAOYSA-N
XLogP2.19
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
methyl 4-({4-[2-(2-amino-2-oxoethyl)-2H-tetrazol-5-yl]phenoxy}methyl)benzoate
CID 1267536
3-[2-[3-(4-Octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoic acid
CID 153933358
Methyl 4-[2-[3-(4-octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoate
CID 155511630
Methyl 3-[2-[3-(4-octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoate
CID 155526324
Methyl 2-methoxy-5-[1-(4-methoxy-3-methoxycarbonyl-5-methylphenyl)-4-(2-methyltetrazol-5-yl)but-1-enyl]-3-methylbenzoate
CID 23626760
2H-Tetrazole-2-acetic acid, 5-(5-(2-methoxyphenyl)-2-furanyl)-
CID 3022226
1-(2,5-Dimethoxy-phenyl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 644397
2-[5-[4-(4-Methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone
CID 1169419
methyl 5-[(Z)-1-(3-cyanophenyl)-4-(2-methyltetrazol-5-yl)but-1-enyl]-2-methoxy-3-methylbenzoate
CID 23626917
methyl 2-methoxy-5-[(E)-1-(4-methoxy-3-methyl-5-methylsulfanylcarbonylphenyl)-4-(2-methyltetrazol-5-yl)but-1-enyl]-3-methylbenzoate
CID 25020082
2-phenyl-6-(2H-tetrazol-5-yl)chromen-4-one
CID 2817492

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate (CID 68978866) is methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate is COC(=O)c1cc(-c2nnn(Cc3ccc(OC)cc3)n2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate?
The InChIKey is PCCISYNJPDTOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-24-14-7-4-12(5-8-14)11-22-20-17(19-21-22)13-6-9-16(25-2)15(10-13)18(23)26-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate?
methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate has a molecular weight of 354.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoate is sourced from PubChem (CID 68978866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).