2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane

C17H25ClO2 — CID 83937936

IUPAC2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane
SMILESCCOc1cc(C)c(Cl)c(C)c1CC(C)C1OC1CC
InChIInChI=1S/C17H25ClO2/c1-6-14-17(20-14)11(4)8-13-12(5)16(18)10(3)9-15(13)19-7-2/h9,11,14,17H,6-8H2,1-5H3
InChIKeyOXKVQQVFUVRHKW-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.71
Rot. Bonds6

About 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane

2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane (PubChem CID 83937936) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane
PubChem CID83937936
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane
SMILESCCOc1cc(C)c(Cl)c(C)c1CC(C)C1OC1CC
InChIInChI=1S/C17H25ClO2/c1-6-14-17(20-14)11(4)8-13-12(5)16(18)10(3)9-15(13)19-7-2/h9,11,14,17H,6-8H2,1-5H3
InChIKeyOXKVQQVFUVRHKW-UHFFFAOYSA-N
XLogP4.71
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.71
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-[1-(4,5-diethoxy-2-fluorophenyl)propan-2-yl]-3-ethyloxirane
CID 83923159
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
CID 83937949
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-3-methylbutanethioamide
CID 83937886
2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83938406
2-[1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)propan-2-yl]-3-methyloxirane
CID 83940660
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83933319
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958649

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane?
The IUPAC name of 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane (CID 83937936) is 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane.
What is the SMILES notation for 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane?
The canonical SMILES for 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane is CCOc1cc(C)c(Cl)c(C)c1CC(C)C1OC1CC.
What is the InChIKey of 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane?
The InChIKey is OXKVQQVFUVRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-6-14-17(20-14)11(4)8-13-12(5)16(18)10(3)9-15(13)19-7-2/h9,11,14,17H,6-8H2,1-5H3.
What are the key properties of 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane?
2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane has a molecular weight of 296.84 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane is sourced from PubChem (CID 83937936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).