methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate

C16H19F3O3 — CID 158209098

IUPACmethyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H19F3O3/c1-21-15(20)10-11-7-8-14(13(9-11)16(17,18)19)22-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
InChIKeyFKONSBVTTMOXBG-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.13
Rot. Bonds4

About methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate

methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate (PubChem CID 158209098) has the molecular formula C16H19F3O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate
PubChem CID158209098
Molecular FormulaC16H19F3O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Namemethyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H19F3O3/c1-21-15(20)10-11-7-8-14(13(9-11)16(17,18)19)22-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
InChIKeyFKONSBVTTMOXBG-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
methyl 2-[3-bromo-4-(trifluoromethyl)phenyl]acetate
CID 126597178
1-[[4-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methyl]azetidine-3-carboxylic acid
CID 146669400
methyl 2-[4-iodo-3,5-bis(trifluoromethyl)phenyl]acetate
CID 134638468
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
methyl 2-[3-ethenyl-4-(trifluoromethyl)phenyl]acetate
CID 58973601
phenyl 2-[4-methoxy-3-(trifluoromethyl)phenyl]acetate
CID 157319709
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
methyl 2-[3-[4-hydroxy-2-(trifluoromethyl)phenoxy]phenyl]acetate
CID 135331023
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate (CID 158209098) is methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate is COC(=O)Cc1ccc(OC2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate?
The InChIKey is FKONSBVTTMOXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O3/c1-21-15(20)10-11-7-8-14(13(9-11)16(17,18)19)22-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3.
What are the key properties of methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate?
methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate has a molecular weight of 316.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 158209098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).