2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane

C17H25ClO2 — CID 83938780

IUPAC2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane
SMILESCCC1OC1CC(C)c1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C17H25ClO2/c1-6-15-16(20-15)7-11(4)14-9-12(18)8-13(10(2)3)17(14)19-5/h8-11,15-16H,6-7H2,1-5H3
InChIKeyUDOXKKZKFMUIDX-UHFFFAOYSA-N
MW296.84 g/mol
LogP5.14
Rot. Bonds6

About 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane

2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane (PubChem CID 83938780) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane
PubChem CID83938780
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane
SMILESCCC1OC1CC(C)c1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C17H25ClO2/c1-6-15-16(20-15)7-11(4)14-9-12(18)8-13(10(2)3)17(14)19-5/h8-11,15-16H,6-7H2,1-5H3
InChIKeyUDOXKKZKFMUIDX-UHFFFAOYSA-N
XLogP5.14
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.84
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,5-dichloro-2-propoxyphenyl)propyl]-3-ethyloxirane
CID 83941372
2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane
CID 83929072
5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene
CID 83938767
5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898
2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane
CID 83941141
2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane
CID 83928875
2-[2-(4,5-diethoxy-2-fluorophenyl)propyl]-3-ethyloxirane
CID 83923153
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene
CID 83938771
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
5-chloro-1-(3-chloropropyl)-2-methoxy-3-propan-2-ylbenzene
CID 83938688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane?
The IUPAC name of 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane (CID 83938780) is 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane?
The canonical SMILES for 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane is CCC1OC1CC(C)c1cc(Cl)cc(C(C)C)c1OC.
What is the InChIKey of 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane?
The InChIKey is UDOXKKZKFMUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-6-15-16(20-15)7-11(4)14-9-12(18)8-13(10(2)3)17(14)19-5/h8-11,15-16H,6-7H2,1-5H3.
What are the key properties of 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane?
2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane has a molecular weight of 296.84 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane is sourced from PubChem (CID 83938780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).