[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate

C18H18N4O5 — CID 7758660

IUPAC[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2ccc(-n3cnnn3)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O5/c1-24-15-8-12(9-16(25-2)18(15)26-3)10-17(23)27-14-6-4-13(5-7-14)22-11-19-20-21-22/h4-9,11H,10H2,1-3H3
InChIKeyRSMAOXLJDQGWNK-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.84
Rot. Bonds7

About [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate

[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 7758660) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID7758660
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2ccc(-n3cnnn3)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O5/c1-24-15-8-12(9-16(25-2)18(15)26-3)10-17(23)27-14-6-4-13(5-7-14)22-11-19-20-21-22/h4-9,11H,10H2,1-3H3
InChIKeyRSMAOXLJDQGWNK-UHFFFAOYSA-N
XLogP1.84
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(tetrazol-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930070
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8867360
[4-(tetrazol-1-yl)phenyl] 4-methoxybenzoate
CID 20896810
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
[4-(tetrazol-1-yl)phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7758652
[4-(tetrazol-1-yl)phenyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18207272
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
1H-indol-5-yl 2-(3,4,5-trimethoxyphenyl)acetate
CID 89364974
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964

Frequently Asked Questions

What is the IUPAC name of [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 7758660) is [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)Oc2ccc(-n3cnnn3)cc2)cc(OC)c1OC.
What is the InChIKey of [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is RSMAOXLJDQGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-24-15-8-12(9-16(25-2)18(15)26-3)10-17(23)27-14-6-4-13(5-7-14)22-11-19-20-21-22/h4-9,11H,10H2,1-3H3.
What are the key properties of [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 370.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 7758660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).