2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid

C16H13F3O3 — CID 154453908

IUPAC2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid
SMILESCOCc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O
InChIInChI=1S/C16H13F3O3/c1-22-9-11-3-2-4-13(14(11)15(20)21)10-5-7-12(8-6-10)16(17,18)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyVGMDNOMMNKMKEP-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.22
Rot. Bonds4

About 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid

2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 154453908) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid
PubChem CID154453908
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid
SMILESCOCc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O
InChIInChI=1S/C16H13F3O3/c1-22-9-11-3-2-4-13(14(11)15(20)21)10-5-7-12(8-6-10)16(17,18)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyVGMDNOMMNKMKEP-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid 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

2-(bromomethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 154400697
2-[(dimethylamino)methyl]-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 91445016
methyl 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134623083
ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134627131
2-[2-(methoxymethyl)-5-(trifluoromethyl)phenyl]acetic acid
CID 91883910
ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 68627660
2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid
CID 170757611
1-fluoro-4-[2-(methoxymethyl)phenyl]benzene
CID 59165552
2-[2-methoxy-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 90737113
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 158442146
2-pyridin-4-yl-6-(trifluoromethyl)benzoic acid
CID 46316119

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid (CID 154453908) is 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid is COCc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is VGMDNOMMNKMKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-22-9-11-3-2-4-13(14(11)15(20)21)10-5-7-12(8-6-10)16(17,18)19/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid?
2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid has a molecular weight of 310.27 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 154453908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).