1-(2,3-dichlorophenyl)butan-1-one

C10H10Cl2O — CID 54508940

IUPAC1-(2,3-dichlorophenyl)butan-1-one
SMILESCCCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-2-4-9(13)7-5-3-6-8(11)10(7)12/h3,5-6H,2,4H2,1H3
InChIKeyYHSJZBYMEUPFBF-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,3-dichlorophenyl)butan-1-one

1-(2,3-dichlorophenyl)butan-1-one (PubChem CID 54508940) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)butan-1-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)butan-1-one
PubChem CID54508940
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name1-(2,3-dichlorophenyl)butan-1-one
SMILESCCCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-2-4-9(13)7-5-3-6-8(11)10(7)12/h3,5-6H,2,4H2,1H3
InChIKeyYHSJZBYMEUPFBF-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-(2,3-dichlorophenyl)-4-(methylamino)butan-1-one
CID 116555585
1-(2,3-dichlorophenyl)-2-propoxyethanone
CID 62789930
1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
CID 114079722
3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
CID 114079709
methyl 3-(2,3-dichlorophenyl)-3-oxopropanoate
CID 19088196
1-(2-chloro-3-methylphenyl)octadecan-1-one
CID 174846983
1-(2-chloro-6-hydroxyphenyl)butan-1-one
CID 130034391
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one
CID 114079761
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
3-amino-1-(2-chloro-3-methylphenyl)propan-1-one
CID 117287477

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)butan-1-one?
The IUPAC name of 1-(2,3-dichlorophenyl)butan-1-one (CID 54508940) is 1-(2,3-dichlorophenyl)butan-1-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)butan-1-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)butan-1-one is CCCC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)butan-1-one?
The InChIKey is YHSJZBYMEUPFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-2-4-9(13)7-5-3-6-8(11)10(7)12/h3,5-6H,2,4H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)butan-1-one?
1-(2,3-dichlorophenyl)butan-1-one has a molecular weight of 217.09 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)butan-1-one is sourced from PubChem (CID 54508940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).