(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone

C15H11F3O3 — CID 103301259

IUPAC(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H11F3O3/c1-20-12-4-3-5-13(21-2)14(12)15(19)8-6-10(17)11(18)7-9(8)16/h3-7H,1-2H3
InChIKeyUEMNYTINQVYCNB-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.35
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone

(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103301259) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103301259
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H11F3O3/c1-20-12-4-3-5-13(21-2)14(12)15(19)8-6-10(17)11(18)7-9(8)16/h3-7H,1-2H3
InChIKeyUEMNYTINQVYCNB-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814
(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400302
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone (CID 103301259) is (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone is COc1cccc(OC)c1C(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is UEMNYTINQVYCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c1-20-12-4-3-5-13(21-2)14(12)15(19)8-6-10(17)11(18)7-9(8)16/h3-7H,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 296.24 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103301259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).