[3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol

C22H27N3O2 — CID 143240884

IUPAC[3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol
SMILESCc1cc(C(O)c2nc(-c3ccccc3)nn2C)ccc1COC(C)(C)C
InChIInChI=1S/C22H27N3O2/c1-15-13-17(11-12-18(15)14-27-22(2,3)4)19(26)21-23-20(24-25(21)5)16-9-7-6-8-10-16/h6-13,19,26H,14H2,1-5H3
InChIKeyZXMYFTNPMNKPHS-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.19
Rot. Bonds5

About [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol

[3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol (PubChem CID 143240884) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name[3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol
PubChem CID143240884
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol
SMILESCc1cc(C(O)c2nc(-c3ccccc3)nn2C)ccc1COC(C)(C)C
InChIInChI=1S/C22H27N3O2/c1-15-13-17(11-12-18(15)14-27-22(2,3)4)19(26)21-23-20(24-25(21)5)16-9-7-6-8-10-16/h6-13,19,26H,14H2,1-5H3
InChIKeyZXMYFTNPMNKPHS-UHFFFAOYSA-N
XLogP4.19
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol (CID 143240884) is [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol is Cc1cc(C(O)c2nc(-c3ccccc3)nn2C)ccc1COC(C)(C)C.
What is the InChIKey of [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is ZXMYFTNPMNKPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-13-17(11-12-18(15)14-27-22(2,3)4)19(26)21-23-20(24-25(21)5)16-9-7-6-8-10-16/h6-13,19,26H,14H2,1-5H3.
What are the key properties of [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol?
[3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 365.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 143240884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).