cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid

C19H16ClF3O4 — CID 143583653

IUPACcis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid
SMILESCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[C@H]1C[C@@]1(C)C(=O)O
InChIInChI=1S/C19H16ClF3O4/c1-18(17(24)25)9-13(18)12-5-4-11(8-16(12)26-2)27-15-6-3-10(7-14(15)20)19(21,22)23/h3-8,13H,9H2,1-2H3,(H,24,25)/t13-,18-/m1/s1
InChIKeyPRYHGFXIXWEINC-FZKQIMNGSA-N
MW400.78 g/mol
LogP5.74
Rot. Bonds5

About cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid (PubChem CID 143583653) has the molecular formula C19H16ClF3O4 and a molecular weight of 400.78 g/mol. Its IUPAC name is cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid
PubChem CID143583653
Molecular FormulaC19H16ClF3O4
Molecular Weight400.78 g/mol
Exact Mass400.07
IUPAC Namecis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid
SMILESCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[C@H]1C[C@@]1(C)C(=O)O
InChIInChI=1S/C19H16ClF3O4/c1-18(17(24)25)9-13(18)12-5-4-11(8-16(12)26-2)27-15-6-3-10(7-14(15)20)19(21,22)23/h3-8,13H,9H2,1-2H3,(H,24,25)/t13-,18-/m1/s1
InChIKeyPRYHGFXIXWEINC-FZKQIMNGSA-N
XLogP5.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.78
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-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

(1R,1aS,6aR)-4-(2-Chloro-4-trifluoromethyl-phenoxy)-1a,6a-dihydro-1H-6-oxa-cyclopropa[a]indene-1-carboxylic acid
CID 17754443
(S)-2-(4-(3-(2-chloro-4-cyclohexylphenoxy)propoxy)benzyl)-2-methylbutanoic acid
CID 44409249
(S)-2-(4-(3-(2-chloro-4-(2,2,2-trifluoroethyl)phenoxy)propoxy)benzyl)-2-methylbutanoic acid
CID 44409279
(2R)-7-(3-(2-Chloro-4-tert-butylphenoxy)propoxy)-2-methylchromane-2-carboxylic Acid
CID 10113686
(2R)-7-(3-(2-Chloro-4-cyclopentylphenoxy)propoxy)-2-methylchromane-2-carboxylic Acid
CID 10114442
(R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
CID 10137693
(2R)-7-(3-(2-Chloro-4-cyclohexylphenoxy)propoxy)-2-methylchromane-2-carboxylic Acid
CID 10182946
(2R)-7-(3-(2-Chloro-4-(4-tetrahydropyranyl)phenoxy)propoxy)-2-ethylchromane-2-carboxylic Acid
CID 10183977
(R)-7-[3-(2-Chloro-4-trifluoromethyl-phenoxy)-propoxy]-2-ethyl-chroman-2-carboxylic acid
CID 10204762
(R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phenoxy]-propoxy}-2-ethyl-chroman-2-carboxylic acid
CID 10207244
(R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2-ethyl-chroman-2-carboxylic acid
CID 10224783
(R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-ethyl-chroman-2-carboxylic acid
CID 10225637

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid (CID 143583653) is cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid is COc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[C@H]1C[C@@]1(C)C(=O)O.
What is the InChIKey of cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is PRYHGFXIXWEINC-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H16ClF3O4/c1-18(17(24)25)9-13(18)12-5-4-11(8-16(12)26-2)27-15-6-3-10(7-14(15)20)19(21,22)23/h3-8,13H,9H2,1-2H3,(H,24,25)/t13-,18-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 400.78 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methoxyphenyl]-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 143583653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).