1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one

C13H14Cl2O3 — CID 24727960

IUPAC1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
SMILESO=C(CCC1OCCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2O3/c14-9-3-1-4-10(15)13(9)11(16)5-6-12-17-7-2-8-18-12/h1,3-4,12H,2,5-8H2
InChIKeyNAHPOFDKFLWRJW-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.72
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one

1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one (PubChem CID 24727960) has the molecular formula C13H14Cl2O3 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
PubChem CID24727960
Molecular FormulaC13H14Cl2O3
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
SMILESO=C(CCC1OCCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2O3/c14-9-3-1-4-10(15)13(9)11(16)5-6-12-17-7-2-8-18-12/h1,3-4,12H,2,5-8H2
InChIKeyNAHPOFDKFLWRJW-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one
CID 24727962
1-(3-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
CID 24727811
3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
CID 2758705
3-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 2758695
6-bromo-1-(2,6-dichlorophenyl)hexan-1-one
CID 146009476
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
1-(2,6-dichlorophenyl)pent-4-yn-1-one
CID 114972777
(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone
CID 130505775
(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 97293217
1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one
CID 102370086
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one (CID 24727960) is 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one is O=C(CCC1OCCCO1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one?
The InChIKey is NAHPOFDKFLWRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O3/c14-9-3-1-4-10(15)13(9)11(16)5-6-12-17-7-2-8-18-12/h1,3-4,12H,2,5-8H2.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one?
1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one has a molecular weight of 289.16 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one is sourced from PubChem (CID 24727960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).