phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate

C18H16N4O5 — CID 1156160

IUPACphenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate
SMILESCOc1c(O)cccc1-c1nnn(CC(=O)OCC(=O)c2ccccc2)n1
InChIInChI=1S/C18H16N4O5/c1-26-17-13(8-5-9-14(17)23)18-19-21-22(20-18)10-16(25)27-11-15(24)12-6-3-2-4-7-12/h2-9,23H,10-11H2,1H3
InChIKeyWMPVDBZUMXIHQT-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.48
Rot. Bonds7

About phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate

phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate (PubChem CID 1156160) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Namephenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate
PubChem CID1156160
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Namephenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate
SMILESCOc1c(O)cccc1-c1nnn(CC(=O)OCC(=O)c2ccccc2)n1
InChIInChI=1S/C18H16N4O5/c1-26-17-13(8-5-9-14(17)23)18-19-21-22(20-18)10-16(25)27-11-15(24)12-6-3-2-4-7-12/h2-9,23H,10-11H2,1H3
InChIKeyWMPVDBZUMXIHQT-UHFFFAOYSA-N
XLogP1.48
TPSA116.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2421833
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
[2-(4-ethylphenyl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807248
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
[3-(2-ethyltetrazol-5-yl)-2-methoxyphenyl]hydrazine
CID 166844001
ethyl 3-(4-methoxyphenyl)-3-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 5296511
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
CID 1150139
phenacyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 3996140
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542475

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate?
The IUPAC name of phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate (CID 1156160) is phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate is COc1c(O)cccc1-c1nnn(CC(=O)OCC(=O)c2ccccc2)n1.
What is the InChIKey of phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate?
The InChIKey is WMPVDBZUMXIHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-26-17-13(8-5-9-14(17)23)18-19-21-22(20-18)10-16(25)27-11-15(24)12-6-3-2-4-7-12/h2-9,23H,10-11H2,1H3.
What are the key properties of phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate?
phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate has a molecular weight of 368.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 1156160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).