1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one

C17H16N4O2 — CID 653064

IUPAC1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(C)=O)n3)cc2)cc1
InChIInChI=1S/C17H16N4O2/c1-12(22)11-21-19-17(18-20-21)15-5-3-13(4-6-15)14-7-9-16(23-2)10-8-14/h3-10H,11H2,1-2H3
InChIKeyZEKSMZPKSPCBAL-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.60
Rot. Bonds5

About 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one

1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one (PubChem CID 653064) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one
PubChem CID653064
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(C)=O)n3)cc2)cc1
InChIInChI=1S/C17H16N4O2/c1-12(22)11-21-19-17(18-20-21)15-5-3-13(4-6-15)14-7-9-16(23-2)10-8-14/h3-10H,11H2,1-2H3
InChIKeyZEKSMZPKSPCBAL-UHFFFAOYSA-N
XLogP2.60
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
1-(4-Octylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-one
CID 153933308
1-[5-(2-Chlorophenyl)tetrazol-2-yl]-3-(4-octylphenoxy)propan-2-one
CID 153933324
1-[5-(3-Chlorophenyl)tetrazol-2-yl]-3-(4-octylphenoxy)propan-2-one
CID 153933328
1-[5-(4-Chlorophenyl)tetrazol-2-yl]-3-(4-octylphenoxy)propan-2-one
CID 153933332
1-(5-Benzyltetrazol-2-yl)-3-(4-octylphenoxy)propan-2-one
CID 153933345
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
2-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-1-morpholin-4-yl-ethanone
CID 655883
(5-{4-[(2-methylbenzyl)oxy]phenyl}-2H-tetrazol-2-yl)acetic acid
CID 2225035

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one (CID 653064) is 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one is COc1ccc(-c2ccc(-c3nnn(CC(C)=O)n3)cc2)cc1.
What is the InChIKey of 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one?
The InChIKey is ZEKSMZPKSPCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12(22)11-21-19-17(18-20-21)15-5-3-13(4-6-15)14-7-9-16(23-2)10-8-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one?
1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]propan-2-one is sourced from PubChem (CID 653064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).