1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one

C12H14Cl2O2 — CID 83988373

IUPAC1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(OC)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O2/c1-3-4-5-11(15)8-6-12(16-2)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3
InChIKeyMZAVTOTZMBZXSQ-UHFFFAOYSA-N
MW261.15 g/mol
LogP4.37
Rot. Bonds5

About 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one

1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one (PubChem CID 83988373) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
PubChem CID83988373
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(OC)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O2/c1-3-4-5-11(15)8-6-12(16-2)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3
InChIKeyMZAVTOTZMBZXSQ-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)pentan-1-one
CID 83957886
1-(2,4-dichloro-5-methoxyphenyl)pent-4-en-1-one
CID 146009948
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
1-(2-bromo-4,5-dimethoxyphenyl)pentan-1-one
CID 43161105
1-(2-chloro-4,5-difluorophenyl)pentan-1-one
CID 15001812
1-(2-chloro-4,5-dimethylphenyl)nonan-1-one
CID 115483569
1-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-one
CID 43340681
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
methyl 5-oxo-5-(2,4,5-trichlorophenyl)pentanoate
CID 82550932
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one (CID 83988373) is 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one is CCCCC(=O)c1cc(OC)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one?
The InChIKey is MZAVTOTZMBZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-3-4-5-11(15)8-6-12(16-2)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one?
1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one has a molecular weight of 261.15 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one is sourced from PubChem (CID 83988373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).