1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone

C17H16N4O2 — CID 131955090

IUPAC1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1-c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H16N4O2/c1-3-23-16-8-7-12(11(2)22)10-15(16)13-5-4-6-14(9-13)17-18-20-21-19-17/h4-10H,3H2,1-2H3,(H,18,19,20,21)
InChIKeyXRDCFDYQIVETFM-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone

1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone (PubChem CID 131955090) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone
PubChem CID131955090
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1-c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H16N4O2/c1-3-23-16-8-7-12(11(2)22)10-15(16)13-5-4-6-14(9-13)17-18-20-21-19-17/h4-10H,3H2,1-2H3,(H,18,19,20,21)
InChIKeyXRDCFDYQIVETFM-UHFFFAOYSA-N
XLogP3.13
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]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-[2-hydroxy-3-propyl-4-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]ethanone
CID 10047169
2-[4-(1h-Tetrazol-5-Yl)phenyl]-4h-Chromen-4-One
CID 46742374
methyl 4-{[4-(1H-tetrazol-5-yl)phenoxy]methyl}benzoate
CID 714070
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
1-[5-[3-[2,6-Dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-2-furyl]ethanone
CID 5273087
1-[2-hydroxy-3-propyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]ethanone
CID 13781092
LY 163443
CID 126778
Ethanone, 1-(2-hydroxy-3-propyl-4-((4-(2-(2H-tetrazol-5-yl)ethyl)phenoxy)methyl)phenyl)-
CID 178974
Ethanone, 1-(2-hydroxy-3-propyl-4-((4-(3-(1H-tetrazol-5-yl)propyl)phenoxy)methyl)phenyl)-
CID 178975
1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-phenoxy]-butoxy}-phenyl)-3-methyl-butan-1-one
CID 9979770
1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-phenoxy]-butoxy}-phenyl)-3-methyl-butan-1-one
CID 10026879

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone (CID 131955090) is 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone is CCOc1ccc(C(C)=O)cc1-c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone?
The InChIKey is XRDCFDYQIVETFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-3-23-16-8-7-12(11(2)22)10-15(16)13-5-4-6-14(9-13)17-18-20-21-19-17/h4-10H,3H2,1-2H3,(H,18,19,20,21).
What are the key properties of 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone?
1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone is sourced from PubChem (CID 131955090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).