methyl 3-phenyl-4-(trifluoromethyl)benzoate

C15H11F3O2 — CID 11044155

IUPACmethyl 3-phenyl-4-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(C(F)(F)F)c(-c2ccccc2)c1
InChIInChI=1S/C15H11F3O2/c1-20-14(19)11-7-8-13(15(16,17)18)12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyHXWIHFMUGVISFV-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.16
Rot. Bonds2

About methyl 3-phenyl-4-(trifluoromethyl)benzoate

methyl 3-phenyl-4-(trifluoromethyl)benzoate (PubChem CID 11044155) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is methyl 3-phenyl-4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 3-phenyl-4-(trifluoromethyl)benzoate
PubChem CID11044155
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Namemethyl 3-phenyl-4-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(C(F)(F)F)c(-c2ccccc2)c1
InChIInChI=1S/C15H11F3O2/c1-20-14(19)11-7-8-13(15(16,17)18)12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyHXWIHFMUGVISFV-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 3-phenyl-4-(trifluoromethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
methyl 3-(2-phenylethynyl)-4-(trifluoromethyl)benzoate
CID 70838890
methyl 3-chloro-4-[2-(trifluoromethyl)phenyl]benzoate
CID 66718347
CID 145169423
CID 145169423
methyl 3-prop-1-en-2-yl-4-(trifluoromethyl)benzoate
CID 58020795
methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate
CID 11164163
methyl 4-methyl-3-[3-(trifluoromethyl)phenyl]benzoate
CID 67169724
methyl 3-phenyl-1H-indole-6-carboxylate;2,2,2-trifluoroacetic acid
CID 131731077
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
methyl 7-methyl-8-[2-(trifluoromethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 118525838
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-4-(trifluoromethyl)benzoate?
The IUPAC name of methyl 3-phenyl-4-(trifluoromethyl)benzoate (CID 11044155) is methyl 3-phenyl-4-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 3-phenyl-4-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 3-phenyl-4-(trifluoromethyl)benzoate is COC(=O)c1ccc(C(F)(F)F)c(-c2ccccc2)c1.
What is the InChIKey of methyl 3-phenyl-4-(trifluoromethyl)benzoate?
The InChIKey is HXWIHFMUGVISFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-20-14(19)11-7-8-13(15(16,17)18)12(9-11)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of methyl 3-phenyl-4-(trifluoromethyl)benzoate?
methyl 3-phenyl-4-(trifluoromethyl)benzoate has a molecular weight of 280.25 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-4-(trifluoromethyl)benzoate is sourced from PubChem (CID 11044155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).