[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone

C20H17NO2 — CID 21264597

IUPAC[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
SMILESCc1ccccc1OCc1ccccc1C(=O)c1ccccn1
InChIInChI=1S/C20H17NO2/c1-15-8-2-5-12-19(15)23-14-16-9-3-4-10-17(16)20(22)18-11-6-7-13-21-18/h2-13H,14H2,1H3
InChIKeyBCOACGIGFYTEGL-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.20
Rot. Bonds5

About [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone

[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone (PubChem CID 21264597) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
PubChem CID21264597
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
SMILESCc1ccccc1OCc1ccccc1C(=O)c1ccccn1
InChIInChI=1S/C20H17NO2/c1-15-8-2-5-12-19(15)23-14-16-9-3-4-10-17(16)20(22)18-11-6-7-13-21-18/h2-13H,14H2,1H3
InChIKeyBCOACGIGFYTEGL-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
1H-imidazol-2-yl-[2-[(2-methylphenoxy)methyl]phenyl]methanone
CID 15346105
[2-[(2-methylphenoxy)methyl]phenyl]-(1H-1,2,4-triazol-5-yl)methanone
CID 15346109
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
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
N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
CID 54096799
N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 139760992
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
N'-(2-hydroxy-3-methoxybenzoyl)pyridine-2-carbohydrazide
CID 69094543
[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
CID 118836198

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone (CID 21264597) is [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone is Cc1ccccc1OCc1ccccc1C(=O)c1ccccn1.
What is the InChIKey of [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone?
The InChIKey is BCOACGIGFYTEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-15-8-2-5-12-19(15)23-14-16-9-3-4-10-17(16)20(22)18-11-6-7-13-21-18/h2-13H,14H2,1H3.
What are the key properties of [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone?
[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone has a molecular weight of 303.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 21264597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).