1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone

C17H16N4O3 — CID 2565652

IUPAC1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H16N4O3/c1-12(22)13-3-8-17(23-2)14(9-13)10-24-16-6-4-15(5-7-16)21-11-18-19-20-21/h3-9,11H,10H2,1-2H3
InChIKeyGCKLTWCDBUIBGP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.45
Rot. Bonds6

About 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone

1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone (PubChem CID 2565652) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
PubChem CID2565652
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H16N4O3/c1-12(22)13-3-8-17(23-2)14(9-13)10-24-16-6-4-15(5-7-16)21-11-18-19-20-21/h3-9,11H,10H2,1-2H3
InChIKeyGCKLTWCDBUIBGP-UHFFFAOYSA-N
XLogP2.45
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
4-(1H-tetraazol-1-yl)phenyl benzoate
CID 856197
1-[4-Ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
CID 2110332
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 9108611
3-(2-(1H-tetrazol-1-yl)phenethoxy)-N,N-diisobutyl-5-methylbenzamide
CID 53320283
[2-(4-Ethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 8351751
2-{[1-(4-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1-phenylethanone
CID 659783
N-(5-Acetyl-2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 118633152
1-[4-Ethoxy-3-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]phenyl]ethanone
CID 2415521
(2-Ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 2567904
2-(4-Methoxyphenoxy)ethyl 3-(tetrazol-1-yl)benzoate
CID 2568985

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone (CID 2565652) is 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone?
The InChIKey is GCKLTWCDBUIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12(22)13-3-8-17(23-2)14(9-13)10-24-16-6-4-15(5-7-16)21-11-18-19-20-21/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone?
1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone has a molecular weight of 324.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone is sourced from PubChem (CID 2565652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).