1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one

C11H13Cl2OP — CID 174477057

IUPAC1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one
SMILESCCCC(P)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2OP/c1-2-4-9(15)11(14)10-7(12)5-3-6-8(10)13/h3,5-6,9H,2,4,15H2,1H3
InChIKeyUDIYIUGWCAVTAC-UHFFFAOYSA-N
MW263.10 g/mol
LogP4.22
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one

1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one (PubChem CID 174477057) has the molecular formula C11H13Cl2OP and a molecular weight of 263.10 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one
PubChem CID174477057
Molecular FormulaC11H13Cl2OP
Molecular Weight263.10 g/mol
Exact Mass262.01
IUPAC Name1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one
SMILESCCCC(P)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2OP/c1-2-4-9(15)11(14)10-7(12)5-3-6-8(10)13/h3,5-6,9H,2,4,15H2,1H3
InChIKeyUDIYIUGWCAVTAC-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one;hydride
CID 174477056
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CID 67779214
N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787
1-(2,6-dichlorophenyl)-2-methylpentane-1,4-dione
CID 64706690
1-(2,6-dichlorophenyl)pentan-1-one
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CID 79415015
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide
CID 61120309
1-(2-chloro-6-hydroxyphenyl)butan-1-one
CID 130034391
1-(2,3-dichlorophenyl)-3-methoxyhexan-2-one
CID 107308025
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
CID 104556293
1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one
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CID 159993809
CID 159993809

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one (CID 174477057) is 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one is CCCC(P)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one?
The InChIKey is UDIYIUGWCAVTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2OP/c1-2-4-9(15)11(14)10-7(12)5-3-6-8(10)13/h3,5-6,9H,2,4,15H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one?
1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one has a molecular weight of 263.10 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one is sourced from PubChem (CID 174477057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).