3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione

C15H17ClO4 — CID 91094655

IUPAC3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione
SMILESCCc1cc(Cl)cc(OC)c1C1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C15H17ClO4/c1-5-8-6-9(16)7-10(19-4)11(8)12-13(17)15(2,3)20-14(12)18/h6-7,12H,5H2,1-4H3
InChIKeyFEWYWSGLWQZEEM-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.90
Rot. Bonds3

About 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione

3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione (PubChem CID 91094655) has the molecular formula C15H17ClO4 and a molecular weight of 296.75 g/mol. Its IUPAC name is 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione
PubChem CID91094655
Molecular FormulaC15H17ClO4
Molecular Weight296.75 g/mol
Exact Mass296.08
IUPAC Name3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione
SMILESCCc1cc(Cl)cc(OC)c1C1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C15H17ClO4/c1-5-8-6-9(16)7-10(19-4)11(8)12-13(17)15(2,3)20-14(12)18/h6-7,12H,5H2,1-4H3
InChIKeyFEWYWSGLWQZEEM-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-ethyl-3-methoxy-2-methylbenzene
CID 157390300
3-[2-chloro-4-(4-chlorophenyl)phenyl]-5,5-dimethyloxolane-2,4-dione
CID 90823705
3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
CID 66923463
[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117481346
[3-(4-chloro-2-ethyl-6-methoxyphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58226431
1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
CID 117356696
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-(2,5-dichloro-3-methoxyphenyl)acetic acid
CID 54236856
(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
4-chloro-2,6-diethylaniline
CID 14348967
4-[5-(2,4-dichlorophenoxy)-2-ethylphenyl]-2,2,6,6-tetramethyloxane-3,5-dione
CID 91414693
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione?
The IUPAC name of 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione (CID 91094655) is 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione?
The canonical SMILES for 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione is CCc1cc(Cl)cc(OC)c1C1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione?
The InChIKey is FEWYWSGLWQZEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO4/c1-5-8-6-9(16)7-10(19-4)11(8)12-13(17)15(2,3)20-14(12)18/h6-7,12H,5H2,1-4H3.
What are the key properties of 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione?
3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione has a molecular weight of 296.75 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-ethyl-6-methoxyphenyl)-5,5-dimethyloxolane-2,4-dione is sourced from PubChem (CID 91094655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).