2-propoxy-4-(trifluoromethoxy)benzoic acid

C11H11F3O4 — CID 170681921

IUPAC2-propoxy-4-(trifluoromethoxy)benzoic acid
SMILESCCCOc1cc(OC(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C11H11F3O4/c1-2-5-17-9-6-7(18-11(12,13)14)3-4-8(9)10(15)16/h3-4,6H,2,5H2,1H3,(H,15,16)
InChIKeyMADWUVLMNMXNPX-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.07
Rot. Bonds5

About 2-propoxy-4-(trifluoromethoxy)benzoic acid

2-propoxy-4-(trifluoromethoxy)benzoic acid (PubChem CID 170681921) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-propoxy-4-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name2-propoxy-4-(trifluoromethoxy)benzoic acid
PubChem CID170681921
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-propoxy-4-(trifluoromethoxy)benzoic acid
SMILESCCCOc1cc(OC(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C11H11F3O4/c1-2-5-17-9-6-7(18-11(12,13)14)3-4-8(9)10(15)16/h3-4,6H,2,5H2,1H3,(H,15,16)
InChIKeyMADWUVLMNMXNPX-UHFFFAOYSA-N
XLogP3.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propoxy-4-(trifluoromethoxy)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

methyl 2-propoxy-4-(trifluoromethoxy)benzoate
CID 162583007
2-octoxy-4-(trifluoromethoxy)benzoate
CID 170682079
2-dodecanoyloxy-4-(trifluoromethoxy)benzoic acid
CID 170681905
3-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170682125
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459
4-decoxy-2-hexoxybenzoic acid
CID 141156533
2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid
CID 53465377
2-pentoxyterephthalic acid
CID 86182031
2-[[4-propoxy-2-(trifluoromethoxy)phenyl]carbamoyl]benzoic acid
CID 90451527
2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid
CID 46202947
2-octadecoxyterephthalic acid
CID 142668937
2-butoxy-4-ethylbenzoic acid
CID 174580616

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-4-(trifluoromethoxy)benzoic acid?
The IUPAC name of 2-propoxy-4-(trifluoromethoxy)benzoic acid (CID 170681921) is 2-propoxy-4-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 2-propoxy-4-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 2-propoxy-4-(trifluoromethoxy)benzoic acid is CCCOc1cc(OC(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-propoxy-4-(trifluoromethoxy)benzoic acid?
The InChIKey is MADWUVLMNMXNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-2-5-17-9-6-7(18-11(12,13)14)3-4-8(9)10(15)16/h3-4,6H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-propoxy-4-(trifluoromethoxy)benzoic acid?
2-propoxy-4-(trifluoromethoxy)benzoic acid has a molecular weight of 264.20 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-4-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 170681921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).