1-(3,5-dichloro-2-hydroxyphenyl)ethanone

C8H6Cl2O2 — CID 520608

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H6Cl2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChIKeyCJFYGRLJDKWMDI-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.90
Rot. Bonds1

About 1-(3,5-dichloro-2-hydroxyphenyl)ethanone

1-(3,5-dichloro-2-hydroxyphenyl)ethanone (PubChem CID 520608) has the molecular formula C8H6Cl2O2 and a molecular weight of 205.04 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)ethanone
PubChem CID520608
Molecular FormulaC8H6Cl2O2
Molecular Weight205.04 g/mol
Exact Mass203.97
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H6Cl2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChIKeyCJFYGRLJDKWMDI-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)ethanone (CID 520608) is 1-(3,5-dichloro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)ethanone is CC(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)ethanone?
The InChIKey is CJFYGRLJDKWMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3.
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)ethanone?
1-(3,5-dichloro-2-hydroxyphenyl)ethanone has a molecular weight of 205.04 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 520608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).