5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one

C17H25ClO2 — CID 83938850

IUPAC5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one
SMILESCCOc1c(CC(C)CC(C)=O)cc(Cl)cc1C(C)C
InChIInChI=1S/C17H25ClO2/c1-6-20-17-14(8-12(4)7-13(5)19)9-15(18)10-16(17)11(2)3/h9-12H,6-8H2,1-5H3
InChIKeyBZWCBRRQEUIOQE-UHFFFAOYSA-N
MW296.84 g/mol
LogP5.02
Rot. Bonds7

About 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one

5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one (PubChem CID 83938850) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one
PubChem CID83938850
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one
SMILESCCOc1c(CC(C)CC(C)=O)cc(Cl)cc1C(C)C
InChIInChI=1S/C17H25ClO2/c1-6-20-17-14(8-12(4)7-13(5)19)9-15(18)10-16(17)11(2)3/h9-12H,6-8H2,1-5H3
InChIKeyBZWCBRRQEUIOQE-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.84
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)prop-2-en-1-one
CID 83958793
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one
CID 83941095
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2,2,2-trifluoroethanone
CID 83958798
3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one
CID 82265933
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
5-chloro-1-(3-chloropropyl)-2-methoxy-3-propan-2-ylbenzene
CID 83938688
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82265884

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one (CID 83938850) is 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one is CCOc1c(CC(C)CC(C)=O)cc(Cl)cc1C(C)C.
What is the InChIKey of 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one?
The InChIKey is BZWCBRRQEUIOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-6-20-17-14(8-12(4)7-13(5)19)9-15(18)10-16(17)11(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one?
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one has a molecular weight of 296.84 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83938850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).