[2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate

C15H10ClF3O3 — CID 54489548

IUPAC[2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate
SMILESCC(=O)Oc1cccc(O)c1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3O3/c1-8(20)22-13-4-2-3-12(21)14(13)10-6-5-9(7-11(10)16)15(17,18)19/h2-7,21H,1H3
InChIKeyXUTHKTJTORPVTO-UHFFFAOYSA-N
MW330.69 g/mol
LogP4.66
Rot. Bonds2

About [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate

[2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate (PubChem CID 54489548) has the molecular formula C15H10ClF3O3 and a molecular weight of 330.69 g/mol. Its IUPAC name is [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate.

Molecular Properties

Compound Name[2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate
PubChem CID54489548
Molecular FormulaC15H10ClF3O3
Molecular Weight330.69 g/mol
Exact Mass330.03
IUPAC Name[2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate
SMILESCC(=O)Oc1cccc(O)c1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3O3/c1-8(20)22-13-4-2-3-12(21)14(13)10-6-5-9(7-11(10)16)15(17,18)19/h2-7,21H,1H3
InChIKeyXUTHKTJTORPVTO-UHFFFAOYSA-N
XLogP4.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-hydroxy-2-(trifluoromethyl)phenyl] acetate
CID 164772519
[2-bromo-4-(trifluoromethyl)phenyl] acetate
CID 67308529
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
[2-acetyloxy-5-(trifluoromethyl)benzoyl] 2-acetyloxy-5-(trifluoromethyl)benzoate
CID 141227321
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one
CID 63668636
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl] acetate
CID 3365466
2-acetyloxy-4-(trifluoromethyl)benzenesulfonate
CID 101450936
[2-chloro-4-(trifluoromethyl)phenyl] 3,3-dimethylbutanoate
CID 90868666
(4-tert-butyl-2-hydroxyphenyl) acetate
CID 13029116
[2-iodo-3-methyl-5-(trifluoromethyl)phenyl] acetate
CID 146570662

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate?
The IUPAC name of [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate (CID 54489548) is [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate.
What is the SMILES notation for [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate?
The canonical SMILES for [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate is CC(=O)Oc1cccc(O)c1-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate?
The InChIKey is XUTHKTJTORPVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O3/c1-8(20)22-13-4-2-3-12(21)14(13)10-6-5-9(7-11(10)16)15(17,18)19/h2-7,21H,1H3.
What are the key properties of [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate?
[2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate has a molecular weight of 330.69 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate is sourced from PubChem (CID 54489548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).