4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol

C19H21N3O2 — CID 42623925

IUPAC4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCc1ccc(Cn2cc(-c3cc(C(C)C)c(O)cc3O)nn2)cc1
InChIInChI=1S/C19H21N3O2/c1-12(2)15-8-16(19(24)9-18(15)23)17-11-22(21-20-17)10-14-6-4-13(3)5-7-14/h4-9,11-12,23-24H,10H2,1-3H3
InChIKeyUFCPFQYHUIZZEH-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.84
Rot. Bonds4

About 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol

4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (PubChem CID 42623925) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
PubChem CID42623925
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCc1ccc(Cn2cc(-c3cc(C(C)C)c(O)cc3O)nn2)cc1
InChIInChI=1S/C19H21N3O2/c1-12(2)15-8-16(19(24)9-18(15)23)17-11-22(21-20-17)10-14-6-4-13(3)5-7-14/h4-9,11-12,23-24H,10H2,1-3H3
InChIKeyUFCPFQYHUIZZEH-UHFFFAOYSA-N
XLogP3.84
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol 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-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42624006
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
CID 122179796
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 135923886
4-[(Z)-1-amino-2-[amino-[(4-methylphenyl)methyl]amino]ethenyl]-6-propan-2-ylbenzene-1,3-diol
CID 143808501
ethyl 1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 849724
4-(1,3-dimethylpyrazol-4-yl)-1-[(4-propan-2-ylsulfonylphenyl)methyl]triazole
CID 167749318
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[[4-(methoxymethyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione
CID 135923962
5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine
CID 141371516

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (CID 42623925) is 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is Cc1ccc(Cn2cc(-c3cc(C(C)C)c(O)cc3O)nn2)cc1.
What is the InChIKey of 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is UFCPFQYHUIZZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(2)15-8-16(19(24)9-18(15)23)17-11-22(21-20-17)10-14-6-4-13(3)5-7-14/h4-9,11-12,23-24H,10H2,1-3H3.
What are the key properties of 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 323.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 42623925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).