[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate

C19H19F3O4 — CID 55368745

IUPAC[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCc2cccc(C(F)(F)F)c2)c1OC
InChIInChI=1S/C19H19F3O4/c1-24-16-8-4-6-14(18(16)25-2)9-10-17(23)26-12-13-5-3-7-15(11-13)19(20,21)22/h3-8,11H,9-10,12H2,1-2H3
InChIKeyRXINFENRHFTDDQ-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.40
Rot. Bonds7

About [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate

[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 55368745) has the molecular formula C19H19F3O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID55368745
Molecular FormulaC19H19F3O4
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCc2cccc(C(F)(F)F)c2)c1OC
InChIInChI=1S/C19H19F3O4/c1-24-16-8-4-6-14(18(16)25-2)9-10-17(23)26-12-13-5-3-7-15(11-13)19(20,21)22/h3-8,11H,9-10,12H2,1-2H3
InChIKeyRXINFENRHFTDDQ-UHFFFAOYSA-N
XLogP4.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368923
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
(6-chloro-3-pyridinyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55546324
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55445109
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013869
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55556224
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404129
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
[3-(trifluoromethyl)phenyl]methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55367725
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 9428782

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate (CID 55368745) is [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate is COc1cccc(CCC(=O)OCc2cccc(C(F)(F)F)c2)c1OC.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is RXINFENRHFTDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O4/c1-24-16-8-4-6-14(18(16)25-2)9-10-17(23)26-12-13-5-3-7-15(11-13)19(20,21)22/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate?
[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 368.35 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55368745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).