1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one

C9H8Cl2O2 — CID 50987811

IUPAC1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C9H8Cl2O2/c1-2-7(12)5-3-4-6(10)8(11)9(5)13/h3-4,13H,2H2,1H3
InChIKeyGTXATAAOUWENOM-UHFFFAOYSA-N
MW219.07 g/mol
LogP3.29
Rot. Bonds2

About 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one

1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one (PubChem CID 50987811) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one
PubChem CID50987811
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C9H8Cl2O2/c1-2-7(12)5-3-4-6(10)8(11)9(5)13/h3-4,13H,2H2,1H3
InChIKeyGTXATAAOUWENOM-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
CID 54857524
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-[4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]propan-1-one
CID 134615598
2-(3,4-dichloro-2-ethylphenyl)-2-oxoacetate
CID 71651091
1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577
ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 171030260
1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
CID 23619743
4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
(2,6-dichloro-N-methyl-3-propanoylanilino) sulfite
CID 174435055
1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one
CID 62381030

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one (CID 50987811) is 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one is CCC(=O)c1ccc(Cl)c(Cl)c1O.
What is the InChIKey of 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one?
The InChIKey is GTXATAAOUWENOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-2-7(12)5-3-4-6(10)8(11)9(5)13/h3-4,13H,2H2,1H3.
What are the key properties of 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one?
1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one has a molecular weight of 219.07 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 50987811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).