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

C10H10Cl2O2 — CID 14099856

IUPAC1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-3-7(13)6-4-5-8(14)10(12)9(6)11/h4-5,14H,2-3H2,1H3
InChIKeyMRAKITVQDPSLMI-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.68
Rot. Bonds3

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

1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one (PubChem CID 14099856) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one
PubChem CID14099856
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-3-7(13)6-4-5-8(14)10(12)9(6)11/h4-5,14H,2-3H2,1H3
InChIKeyMRAKITVQDPSLMI-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one?
The IUPAC name of 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one (CID 14099856) is 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one?
The canonical SMILES for 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one is CCCC(=O)c1ccc(O)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one?
The InChIKey is MRAKITVQDPSLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-2-3-7(13)6-4-5-8(14)10(12)9(6)11/h4-5,14H,2-3H2,1H3.
What are the key properties of 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one?
1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one has a molecular weight of 233.09 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 14099856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).