1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one

C18H20N4O2 — CID 118967377

IUPAC1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
SMILESCCc1cc(C)ccc1OCc1ccccc1-n1nnn(C)c1=O
InChIInChI=1S/C18H20N4O2/c1-4-14-11-13(2)9-10-17(14)24-12-15-7-5-6-8-16(15)22-18(23)21(3)19-20-22/h5-11H,4,12H2,1-3H3
InChIKeyVTIUHSSLYXIFCR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.42
Rot. Bonds5

About 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one

1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one (PubChem CID 118967377) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
PubChem CID118967377
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
SMILESCCc1cc(C)ccc1OCc1ccccc1-n1nnn(C)c1=O
InChIInChI=1S/C18H20N4O2/c1-4-14-11-13(2)9-10-17(14)24-12-15-7-5-6-8-16(15)22-18(23)21(3)19-20-22/h5-11H,4,12H2,1-3H3
InChIKeyVTIUHSSLYXIFCR-UHFFFAOYSA-N
XLogP2.42
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(2-ethyl-4-hydroxyphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 90266775
1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one
CID 158154978
1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one
CID 134251488
1-[3-ethoxy-2-[(2-ethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140804085
1-[2-[[4-(6-chloro-2-pyridinyl)-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367349
1-[3-bromo-2-[(2-ethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140719218
1-[2-[[4-(6-chloro-2-pyridinyl)-2,5-dimethylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367390
1-methyl-4-[2-[(4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121331474
1-[2-[[4-[(E)-N-butoxy-C-methylcarbonimidoyl]-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 172971771
1-[3-(difluoromethoxy)-2-[(2-ethyl-4-hydroxyphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 126510511
1-[2-[(2-ethyl-4-hydroxyphenoxy)methyl]-3-methylsulfanylphenyl]-4-methyltetrazol-5-one
CID 90262124
1-[2-[(2-chloro-4-methylphenoxy)methyl]-3-iodophenyl]-4-methyltetrazol-5-one
CID 118535557

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one (CID 118967377) is 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one is CCc1cc(C)ccc1OCc1ccccc1-n1nnn(C)c1=O.
What is the InChIKey of 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one?
The InChIKey is VTIUHSSLYXIFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-14-11-13(2)9-10-17(14)24-12-15-7-5-6-8-16(15)22-18(23)21(3)19-20-22/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one?
1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one has a molecular weight of 324.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 118967377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).