4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid

C16H19F3O4 — CID 171115863

IUPAC4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
SMILESCOCOc1ccc(C(F)(F)F)cc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C16H19F3O4/c1-22-9-23-14-7-6-12(16(17,18)19)8-13(14)10-2-4-11(5-3-10)15(20)21/h6-8,10-11H,2-5,9H2,1H3,(H,20,21)
InChIKeyVVZRPVATZKIBJA-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.05
Rot. Bonds5

About 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid

4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 171115863) has the molecular formula C16H19F3O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID171115863
Molecular FormulaC16H19F3O4
Molecular Weight332.32 g/mol
Exact Mass332.12
IUPAC Name4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
SMILESCOCOc1ccc(C(F)(F)F)cc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C16H19F3O4/c1-22-9-23-14-7-6-12(16(17,18)19)8-13(14)10-2-4-11(5-3-10)15(20)21/h6-8,10-11H,2-5,9H2,1H3,(H,20,21)
InChIKeyVVZRPVATZKIBJA-UHFFFAOYSA-N
XLogP4.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid
CID 171115848
4-[2-nitro-4-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 153492769
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;hydrochloride
CID 166174067
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
CID 171115881
2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 166174078
1-(4-methylpiperidin-1-yl)-2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 166174085
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
2-[4-[2-(methoxymethoxy)-4-(trifluoromethyl)phenoxy]cycloheptyl]-5-(trifluoromethyl)pyridine
CID 154547622
methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate
CID 169212318
4-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509707

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid (CID 171115863) is 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid is COCOc1ccc(C(F)(F)F)cc1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is VVZRPVATZKIBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O4/c1-22-9-23-14-7-6-12(16(17,18)19)8-13(14)10-2-4-11(5-3-10)15(20)21/h6-8,10-11H,2-5,9H2,1H3,(H,20,21).
What are the key properties of 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid?
4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 171115863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).