[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone

C16H15FO3 — CID 146189061

IUPAC[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone
SMILESCOCOc1ccc(F)cc1C(=O)c1cccc(C)c1
InChIInChI=1S/C16H15FO3/c1-11-4-3-5-12(8-11)16(18)14-9-13(17)6-7-15(14)20-10-19-2/h3-9H,10H2,1-2H3
InChIKeyYRDFVMYVLZBYHE-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.35
Rot. Bonds5

About [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone

[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone (PubChem CID 146189061) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone
PubChem CID146189061
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone
SMILESCOCOc1ccc(F)cc1C(=O)c1cccc(C)c1
InChIInChI=1S/C16H15FO3/c1-11-4-3-5-12(8-11)16(18)14-9-13(17)6-7-15(14)20-10-19-2/h3-9H,10H2,1-2H3
InChIKeyYRDFVMYVLZBYHE-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one
CID 167534916
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
bis(3-methylphenyl)methanone
CID 17848
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate
CID 58962617

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone?
The IUPAC name of [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone (CID 146189061) is [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone.
What is the SMILES notation for [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone?
The canonical SMILES for [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone is COCOc1ccc(F)cc1C(=O)c1cccc(C)c1.
What is the InChIKey of [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone?
The InChIKey is YRDFVMYVLZBYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-4-3-5-12(8-11)16(18)14-9-13(17)6-7-15(14)20-10-19-2/h3-9H,10H2,1-2H3.
What are the key properties of [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone?
[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone has a molecular weight of 274.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone is sourced from PubChem (CID 146189061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).