2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane

C13H20N4O4 — CID 143271209

IUPAC2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane
SMILESC=O.CCOc1cc(-c2nn[nH]n2)cc(C)c1O.COC
InChIInChI=1S/C10H12N4O2.C2H6O.CH2O/c1-3-16-8-5-7(4-6(2)9(8)15)10-11-13-14-12-10;1-3-2;1-2/h4-5,15H,3H2,1-2H3,(H,11,12,13,14);1-2H3;1H2
InChIKeyAIZGGNYZXOLCDQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.36
Rot. Bonds3

About 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane

2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane (PubChem CID 143271209) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane.

Molecular Properties

Compound Name2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane
PubChem CID143271209
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane
SMILESC=O.CCOc1cc(-c2nn[nH]n2)cc(C)c1O.COC
InChIInChI=1S/C10H12N4O2.C2H6O.CH2O/c1-3-16-8-5-7(4-6(2)9(8)15)10-11-13-14-12-10;1-3-2;1-2/h4-5,15H,3H2,1-2H3,(H,11,12,13,14);1-2H3;1H2
InChIKeyAIZGGNYZXOLCDQ-UHFFFAOYSA-N
XLogP1.36
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dibromo-4-(2H-tetrazol-5-yl)phenol
CID 137032179
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593252
5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
[2-methoxy-4-(2H-tetrazol-5-yl)phenyl] 2,2-dimethylpropanoate
CID 54573821
2-ethoxy-6-methylphenol
CID 14911944
2-ethoxy-6-(2H-tetrazol-5-yl)xanthen-1-one
CID 53424554
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one
CID 90011394

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane?
The IUPAC name of 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane (CID 143271209) is 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane.
What is the SMILES notation for 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane?
The canonical SMILES for 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane is C=O.CCOc1cc(-c2nn[nH]n2)cc(C)c1O.COC.
What is the InChIKey of 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane?
The InChIKey is AIZGGNYZXOLCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2.C2H6O.CH2O/c1-3-16-8-5-7(4-6(2)9(8)15)10-11-13-14-12-10;1-3-2;1-2/h4-5,15H,3H2,1-2H3,(H,11,12,13,14);1-2H3;1H2.
What are the key properties of 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane?
2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane has a molecular weight of 296.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane is sourced from PubChem (CID 143271209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).