1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone

C18H18N4O2 — CID 2550878

IUPAC1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H18N4O2/c1-13-7-9-15(10-8-13)18-19-21-22(20-18)11-12-24-17-6-4-3-5-16(17)14(2)23/h3-10H,11-12H2,1-2H3
InChIKeyQVMLCRYEZMUQAC-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.93
Rot. Bonds6

About 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone

1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone (PubChem CID 2550878) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
PubChem CID2550878
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H18N4O2/c1-13-7-9-15(10-8-13)18-19-21-22(20-18)11-12-24-17-6-4-3-5-16(17)14(2)23/h3-10H,11-12H2,1-2H3
InChIKeyQVMLCRYEZMUQAC-UHFFFAOYSA-N
XLogP2.93
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone (CID 2550878) is 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCn1nnc(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone?
The InChIKey is QVMLCRYEZMUQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-7-9-15(10-8-13)18-19-21-22(20-18)11-12-24-17-6-4-3-5-16(17)14(2)23/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone?
1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone is sourced from PubChem (CID 2550878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).