(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone

C15H11F3O3 — CID 62963923

IUPAC(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C15H11F3O3/c1-20-11-6-3-8(7-12(11)21-2)15(19)9-4-5-10(16)14(18)13(9)17/h3-7H,1-2H3
InChIKeyMHAJMKWMHNTAAY-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.35
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone

(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 62963923) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID62963923
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C15H11F3O3/c1-20-11-6-3-8(7-12(11)21-2)15(19)9-4-5-10(16)14(18)13(9)17/h3-7H,1-2H3
InChIKeyMHAJMKWMHNTAAY-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_2', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone (CID 62963923) is (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone is COc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is MHAJMKWMHNTAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c1-20-11-6-3-8(7-12(11)21-2)15(19)9-4-5-10(16)14(18)13(9)17/h3-7H,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
(3,4-dimethoxyphenyl)-(2,3,4-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 (3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 62963923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).