1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid

C24H24F3NO4 — CID 58438910

IUPAC1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid
SMILESCc1ccc(COc2cc(C)c3c(c2)OCC(CN2CC(C(=O)O)C2)=C3)c(C(F)(F)F)c1
InChIInChI=1S/C24H24F3NO4/c1-14-3-4-17(21(5-14)24(25,26)27)13-31-19-6-15(2)20-7-16(12-32-22(20)8-19)9-28-10-18(11-28)23(29)30/h3-8,18H,9-13H2,1-2H3,(H,29,30)
InChIKeyUXFXVPJWSFKYDG-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.69
Rot. Bonds6

About 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid

1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid (PubChem CID 58438910) has the molecular formula C24H24F3NO4 and a molecular weight of 447.45 g/mol. Its IUPAC name is 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid
PubChem CID58438910
Molecular FormulaC24H24F3NO4
Molecular Weight447.45 g/mol
Exact Mass447.17
IUPAC Name1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid
SMILESCc1ccc(COc2cc(C)c3c(c2)OCC(CN2CC(C(=O)O)C2)=C3)c(C(F)(F)F)c1
InChIInChI=1S/C24H24F3NO4/c1-14-3-4-17(21(5-14)24(25,26)27)13-31-19-6-15(2)20-7-16(12-32-22(20)8-19)9-28-10-18(11-28)23(29)30/h3-8,18H,9-13H2,1-2H3,(H,29,30)
InChIKeyUXFXVPJWSFKYDG-UHFFFAOYSA-N
XLogP4.69
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic 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

1-[[5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 58438991
2-[1-[[7-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-fluoro-2H-chromen-3-yl]methyl]piperidin-4-yl]acetic acid
CID 88565529
5-fluoro-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
CID 58438683
(3S)-1-[[7-[[4-(1,3-difluoropropan-2-yloxy)-3-(trifluoromethyl)phenyl]methoxy]-5-fluoro-2H-chromen-3-yl]methyl]piperidine-3-carboxylic acid;hydrochloride
CID 46209399
1-[[7-[4-[2,4-bis(trifluoromethyl)phenyl]but-1-ynyl]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid
CID 88914832
(3R)-1-[[7-[[4-ethoxy-3-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]piperidine-3-carboxylic acid;methane;hydrochloride
CID 160924298
1-[[7-[2-[2,4-bis(trifluoromethyl)phenyl]ethynyl]-5-fluoro-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid
CID 89063837
1-[[7-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;hydrochloride
CID 158856252
1-[[7-[[4-(1,3-difluoropropan-2-yloxy)-3-(trifluoromethyl)phenyl]methoxy]-5-fluoro-2H-chromen-3-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 162304752
1-[[7-[[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]piperidine-3-carboxylic acid
CID 76786476
1-[[2,6-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930184
(3R)-1-[[7-(methoxymethoxy)-2H-chromen-3-yl]methyl]piperidine-3-carboxylic acid
CID 67773777

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid (CID 58438910) is 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid is Cc1ccc(COc2cc(C)c3c(c2)OCC(CN2CC(C(=O)O)C2)=C3)c(C(F)(F)F)c1.
What is the InChIKey of 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid?
The InChIKey is UXFXVPJWSFKYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO4/c1-14-3-4-17(21(5-14)24(25,26)27)13-31-19-6-15(2)20-7-16(12-32-22(20)8-19)9-28-10-18(11-28)23(29)30/h3-8,18H,9-13H2,1-2H3,(H,29,30).
What are the key properties of 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid?
1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid has a molecular weight of 447.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 58438910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).