[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate

C17H15F3O4 — CID 162602245

IUPAC[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
SMILESCC(=O)OC(CO)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3O4/c1-11(22)23-16(10-21)14-4-2-3-13(9-14)12-5-7-15(8-6-12)24-17(18,19)20/h2-9,16,21H,10H2,1H3
InChIKeyJCRMSVXIHNVIBX-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.85
Rot. Bonds5

About [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate

[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate (PubChem CID 162602245) has the molecular formula C17H15F3O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
PubChem CID162602245
Molecular FormulaC17H15F3O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
SMILESCC(=O)OC(CO)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3O4/c1-11(22)23-16(10-21)14-4-2-3-13(9-14)12-5-7-15(8-6-12)24-17(18,19)20/h2-9,16,21H,10H2,1H3
InChIKeyJCRMSVXIHNVIBX-UHFFFAOYSA-N
XLogP3.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 122534355
[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
CID 175211548
[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate
CID 146469131
1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 141128245
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
methyl 4-[3-(2-fluorophenyl)-3-oxo-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]propyl]benzoate
CID 59756929
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
S-[2,3-dihydroxy-3-[3-(trifluoromethoxy)phenyl]propyl] ethanethioate
CID 170822522

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate?
The IUPAC name of [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate (CID 162602245) is [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate.
What is the SMILES notation for [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate?
The canonical SMILES for [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate is CC(=O)OC(CO)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate?
The InChIKey is JCRMSVXIHNVIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O4/c1-11(22)23-16(10-21)14-4-2-3-13(9-14)12-5-7-15(8-6-12)24-17(18,19)20/h2-9,16,21H,10H2,1H3.
What are the key properties of [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate?
[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate has a molecular weight of 340.30 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate is sourced from PubChem (CID 162602245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).