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

C18H18N4O3 — CID 2110332

IUPAC1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H18N4O3/c1-3-24-18-9-4-14(13(2)23)10-15(18)11-25-17-7-5-16(6-8-17)22-12-19-20-21-22/h4-10,12H,3,11H2,1-2H3
InChIKeyLWOVCHZTIMPPOR-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.84
Rot. Bonds7

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

1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone (PubChem CID 2110332) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
PubChem CID2110332
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H18N4O3/c1-3-24-18-9-4-14(13(2)23)10-15(18)11-25-17-7-5-16(6-8-17)22-12-19-20-21-22/h4-10,12H,3,11H2,1-2H3
InChIKeyLWOVCHZTIMPPOR-UHFFFAOYSA-N
XLogP2.84
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-Methoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone
CID 2565652
[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-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone (CID 2110332) is 1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone is CCOc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone?
The InChIKey is LWOVCHZTIMPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-24-18-9-4-14(13(2)23)10-15(18)11-25-17-7-5-16(6-8-17)22-12-19-20-21-22/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone?
1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone has a molecular weight of 338.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[[4-(tetrazol-1-yl)phenoxy]methyl]phenyl]ethanone is sourced from PubChem (CID 2110332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).