1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one

C13H15ClO4 — CID 58838303

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
SMILESCOc1ccc(Cl)cc1C(=O)CCC1OCCO1
InChIInChI=1S/C13H15ClO4/c1-16-12-4-2-9(14)8-10(12)11(15)3-5-13-17-6-7-18-13/h2,4,8,13H,3,5-7H2,1H3
InChIKeyITXICUOQNCKPHP-UHFFFAOYSA-N
MW270.71 g/mol
LogP2.68
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one

1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one (PubChem CID 58838303) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
PubChem CID58838303
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
SMILESCOc1ccc(Cl)cc1C(=O)CCC1OCCO1
InChIInChI=1S/C13H15ClO4/c1-16-12-4-2-9(14)8-10(12)11(15)3-5-13-17-6-7-18-13/h2,4,8,13H,3,5-7H2,1H3
InChIKeyITXICUOQNCKPHP-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
5-bromo-1-(5-chloro-2-methoxyphenyl)pentan-1-one
CID 146005779
1-(5-chloro-2-methoxyphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94271591
3-amino-1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 116608850
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826274
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 116610213
1-(5-chloro-2-methoxyphenyl)-3-phenoxypropan-1-one
CID 62790945
3-(4-aminophenyl)-1-(5-chloro-2-methoxyphenyl)propan-1-one
CID 116605537

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one (CID 58838303) is 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one is COc1ccc(Cl)cc1C(=O)CCC1OCCO1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
The InChIKey is ITXICUOQNCKPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c1-16-12-4-2-9(14)8-10(12)11(15)3-5-13-17-6-7-18-13/h2,4,8,13H,3,5-7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one has a molecular weight of 270.71 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one is sourced from PubChem (CID 58838303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).