[2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone

C17H15N3O2 — CID 15346109

IUPAC[2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCc1ccccc1OCc1ccccc1C(=O)c1ncn[nH]1
InChIInChI=1S/C17H15N3O2/c1-12-6-2-5-9-15(12)22-10-13-7-3-4-8-14(13)16(21)17-18-11-19-20-17/h2-9,11H,10H2,1H3,(H,18,19,20)
InChIKeyDHGATEHNTCNPRG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.92
Rot. Bonds5

About [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone

[2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 15346109) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID15346109
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name[2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCc1ccccc1OCc1ccccc1C(=O)c1ncn[nH]1
InChIInChI=1S/C17H15N3O2/c1-12-6-2-5-9-15(12)22-10-13-7-3-4-8-14(13)16(21)17-18-11-19-20-17/h2-9,11H,10H2,1H3,(H,18,19,20)
InChIKeyDHGATEHNTCNPRG-UHFFFAOYSA-N
XLogP2.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-imidazol-2-yl-[2-[(2-methylphenoxy)methyl]phenyl]methanone
CID 15346105
[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
CID 21264597
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
2-(2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65362636
N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
CID 54096799
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone (CID 15346109) is [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone is Cc1ccccc1OCc1ccccc1C(=O)c1ncn[nH]1.
What is the InChIKey of [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is DHGATEHNTCNPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-6-2-5-9-15(12)22-10-13-7-3-4-8-14(13)16(21)17-18-11-19-20-17/h2-9,11H,10H2,1H3,(H,18,19,20).
What are the key properties of [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone?
[2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 293.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 15346109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).