4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one

C16H16N4O3 — CID 137255181

IUPAC4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one
SMILESCc1cc(O)ccc1OCc1c(C)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C16H16N4O3/c1-10-4-3-5-14(20-16(22)17-18-19-20)13(10)9-23-15-7-6-12(21)8-11(15)2/h3-8,21H,9H2,1-2H3,(H,17,19,22)
InChIKeyZWRBXXKOMVESGV-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.86
Rot. Bonds4

About 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one

4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one (PubChem CID 137255181) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one
PubChem CID137255181
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one
SMILESCc1cc(O)ccc1OCc1c(C)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C16H16N4O3/c1-10-4-3-5-14(20-16(22)17-18-19-20)13(10)9-23-15-7-6-12(21)8-11(15)2/h3-8,21H,9H2,1-2H3,(H,17,19,22)
InChIKeyZWRBXXKOMVESGV-UHFFFAOYSA-N
XLogP1.86
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-methyl-2-[(2-methyl-4-pyridin-2-ylphenoxy)methyl]phenyl]-1H-tetrazol-5-one
CID 137161518
4-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]-1H-tetrazol-5-one
CID 144772941
4-[2-[(4-hydroxy-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-1H-tetrazol-5-one
CID 137255187
4-[3-ethoxy-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-1H-tetrazol-5-one
CID 137003751
4-[2-[(4-bromo-2-methylphenoxy)methyl]-3-cyclopropylphenyl]-1H-tetrazol-5-one
CID 144773136
4-[3-methyl-2-[[3-(1-methylpyrazol-3-yl)phenoxy]methyl]phenyl]-1H-tetrazol-5-one
CID 137142838
1-[3-bromo-2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 90262136
4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one
CID 137250663
4-[2-[[4-hydroxy-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-tetrazol-5-one
CID 136941922
3-[5-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]benzonitrile
CID 137093102
4-[2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]-3-methylphenyl]-1H-tetrazol-5-one
CID 146631770
1-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl]-4-methyltetrazol-5-one
CID 90262202

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one?
The IUPAC name of 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one (CID 137255181) is 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one.
What is the SMILES notation for 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one?
The canonical SMILES for 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one is Cc1cc(O)ccc1OCc1c(C)cccc1-n1nn[nH]c1=O.
What is the InChIKey of 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one?
The InChIKey is ZWRBXXKOMVESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-4-3-5-14(20-16(22)17-18-19-20)13(10)9-23-15-7-6-12(21)8-11(15)2/h3-8,21H,9H2,1-2H3,(H,17,19,22).
What are the key properties of 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one?
4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one has a molecular weight of 312.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one is sourced from PubChem (CID 137255181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).