2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one

C10H8ClF3O3 — CID 134619731

IUPAC2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one
SMILESCC(Cl)C(=O)c1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c1-5(11)9(16)7-3-2-6(15)4-8(7)17-10(12,13)14/h2-5,15H,1H3
InChIKeyKIOORPNUINAAHI-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.10
Rot. Bonds3

About 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one

2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 134619731) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID134619731
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one
SMILESCC(Cl)C(=O)c1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c1-5(11)9(16)7-3-2-6(15)4-8(7)17-10(12,13)14/h2-5,15H,1H3
InChIKeyKIOORPNUINAAHI-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
CID 134619501
4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 167069993
2-chloro-1-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018232
2-chloro-1-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619492
2-bromo-1-[4-methyl-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134627410
2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134617645
2-chloro-1-[3-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619579
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
2-chloro-1-[2-(difluoromethoxy)-6-(trifluoromethoxy)phenyl]propan-1-one
CID 134619510
1-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 118851290

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one (CID 134619731) is 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one is CC(Cl)C(=O)c1ccc(O)cc1OC(F)(F)F.
What is the InChIKey of 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is KIOORPNUINAAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-5(11)9(16)7-3-2-6(15)4-8(7)17-10(12,13)14/h2-5,15H,1H3.
What are the key properties of 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one?
2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 268.62 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 134619731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).