3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one

C10H8ClF3O3 — CID 134626110

IUPAC3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCCl)c1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O3/c11-2-1-9(16)6-3-7(15)5-8(4-6)17-10(12,13)14/h3-5,15H,1-2H2
InChIKeyZOZRZLGNYSTZRC-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.10
Rot. Bonds4

About 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one

3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 134626110) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID134626110
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCCl)c1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O3/c11-2-1-9(16)6-3-7(15)5-8(4-6)17-10(12,13)14/h3-5,15H,1-2H2
InChIKeyZOZRZLGNYSTZRC-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134626055
tert-butyl 3-hydroxy-5-(trifluoromethoxy)benzoate
CID 172648442
3-chloro-1-[3-(difluoromethyl)-5-hydroxyphenyl]propan-1-one
CID 134626058
7-chloro-1-[3-(trifluoromethoxy)phenyl]heptan-1-one
CID 24726789
3-chloro-1-[2-iodo-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134638540
3-bromo-1-[3-(difluoromethoxy)-5-hydroxyphenyl]propan-1-one
CID 134625271
ethyl 3-(3-bromopropanoyl)-5-(trifluoromethoxy)benzoate
CID 134644307
3-chloro-1-[2-(difluoromethyl)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 134625807
1-[3,5-bis(trifluoromethylsulfanyl)phenyl]-3-chloropropan-1-one
CID 118804095
2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
CID 170998248
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222015
3-bromo-1-(3-ethoxy-5-hydroxyphenyl)propan-1-one
CID 134624807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one (CID 134626110) is 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one is O=C(CCCl)c1cc(O)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is ZOZRZLGNYSTZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c11-2-1-9(16)6-3-7(15)5-8(4-6)17-10(12,13)14/h3-5,15H,1-2H2.
What are the key properties of 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one?
3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 268.62 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 134626110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).