1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone

C16H14N4O2 — CID 763906

IUPAC1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-14-9-7-12(8-10-14)15(21)11-20-18-16(17-19-20)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyWQWPCWZEFLYCSP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.23
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone

1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 763906) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID763906
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-14-9-7-12(8-10-14)15(21)11-20-18-16(17-19-20)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyWQWPCWZEFLYCSP-UHFFFAOYSA-N
XLogP2.23
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone 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

1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone
CID 131955090
1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
1-[5-[5-[2,6-Dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-2-furyl]ethanone
CID 5273085
methyl 4-({4-[2-(2-amino-2-oxoethyl)-2H-tetrazol-5-yl]phenoxy}methyl)benzoate
CID 1267536
3-(5-(4-methoxyphenyl)-1H-tetrazol-1-yl)-1-phenylpropan-1-one
CID 46890468
3-[2-[3-(4-Octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoic acid
CID 153933358
4-[2-[3-(4-Octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoic acid
CID 153933360
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 649736
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-1-phenyl-ethanone
CID 649972
1-(4-Methoxyphenyl)-2-(5-thiophen-2-yl-2-tetrazolyl)ethanone
CID 650045
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
CID 650134

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 763906) is 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone is COc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is WQWPCWZEFLYCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-14-9-7-12(8-10-14)15(21)11-20-18-16(17-19-20)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 294.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 763906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).