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

C11H12Cl2O2 — CID 605151

IUPAC1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one
SMILESCCCCC(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O2/c1-2-3-4-8(14)7-5-6-9(15)11(13)10(7)12/h5-6,15H,2-4H2,1H3
InChIKeyBHORURDRTBGQPO-UHFFFAOYSA-N
MW247.12 g/mol
LogP4.07
Rot. Bonds4

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

1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one (PubChem CID 605151) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one
PubChem CID605151
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one
SMILESCCCCC(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O2/c1-2-3-4-8(14)7-5-6-9(15)11(13)10(7)12/h5-6,15H,2-4H2,1H3
InChIKeyBHORURDRTBGQPO-UHFFFAOYSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 54.07
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)pentan-1-one?
The IUPAC name of 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one (CID 605151) is 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one.
What is the SMILES notation for 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one?
The canonical SMILES for 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one is CCCCC(=O)c1ccc(O)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one?
The InChIKey is BHORURDRTBGQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-2-3-4-8(14)7-5-6-9(15)11(13)10(7)12/h5-6,15H,2-4H2,1H3.
What are the key properties of 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one?
1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one has a molecular weight of 247.12 g/mol, XLogP of 4.07, 4 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)pentan-1-one is sourced from PubChem (CID 605151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).