2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one

C10H9ClF2O3 — CID 134619501

IUPAC2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
SMILESCC(Cl)C(=O)c1ccc(O)cc1OC(F)F
InChIInChI=1S/C10H9ClF2O3/c1-5(11)9(15)7-3-2-6(14)4-8(7)16-10(12)13/h2-5,10,14H,1H3
InChIKeyDQMDGWSTBBFMGG-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one

2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one (PubChem CID 134619501) has the molecular formula C10H9ClF2O3 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
PubChem CID134619501
Molecular FormulaC10H9ClF2O3
Molecular Weight250.63 g/mol
Exact Mass250.02
IUPAC Name2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
SMILESCC(Cl)C(=O)c1ccc(O)cc1OC(F)F
InChIInChI=1S/C10H9ClF2O3/c1-5(11)9(15)7-3-2-6(14)4-8(7)16-10(12)13/h2-5,10,14H,1H3
InChIKeyDQMDGWSTBBFMGG-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.80
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-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619731
2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one
CID 134619508
2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683
2-chloro-1-[3-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619579
2-chloro-1-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018232
1-[2,4-bis(difluoromethyl)phenyl]-2-chloropropan-1-one
CID 166640747
1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
CID 170836550
2-chloro-1-[2-(difluoromethyl)-4-methylphenyl]propan-1-one
CID 131415282
2-chloro-1-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619492
1-[3-bromo-2-(difluoromethoxy)phenyl]-2-chloropropan-1-one
CID 134625182
ethyl 5-(2-chloropropanoyl)-2-(difluoromethoxy)benzoate
CID 134645004
1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one
CID 59682183

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one?
The IUPAC name of 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one (CID 134619501) is 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one?
The canonical SMILES for 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one is CC(Cl)C(=O)c1ccc(O)cc1OC(F)F.
What is the InChIKey of 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one?
The InChIKey is DQMDGWSTBBFMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O3/c1-5(11)9(15)7-3-2-6(14)4-8(7)16-10(12)13/h2-5,10,14H,1H3.
What are the key properties of 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one?
2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one has a molecular weight of 250.63 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one is sourced from PubChem (CID 134619501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).