1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene

C15H21ClO3 — CID 114032163

IUPAC1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene
SMILESCOCCOC1C(Cl)CC1Oc1cccc(C)c1C
InChIInChI=1S/C15H21ClO3/c1-10-5-4-6-13(11(10)2)19-14-9-12(16)15(14)18-8-7-17-3/h4-6,12,14-15H,7-9H2,1-3H3
InChIKeyWARSIHNTAADPQB-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.09
Rot. Bonds6

About 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene

1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene (PubChem CID 114032163) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene
PubChem CID114032163
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene
SMILESCOCCOC1C(Cl)CC1Oc1cccc(C)c1C
InChIInChI=1S/C15H21ClO3/c1-10-5-4-6-13(11(10)2)19-14-9-12(16)15(14)18-8-7-17-3/h4-6,12,14-15H,7-9H2,1-3H3
InChIKeyWARSIHNTAADPQB-UHFFFAOYSA-N
XLogP3.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol
CID 113439879
2-(3-chloro-2-methoxycyclobutyl)oxy-1,3-dimethylbenzene
CID 104673765
3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674259
3-(3-chloro-2-propoxycyclobutyl)oxy-2-methylpyridine
CID 107943039
1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane
CID 104675611
1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene
CID 104673828
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
3-(2,3-dimethylphenoxy)cyclobutan-1-amine
CID 66358304
1-(3-chloro-2-ethoxycyclobutyl)oxy-4,5-difluoro-2-methylbenzene
CID 114276833
2-(3-chloro-2-propoxycyclobutyl)oxy-1,3,5-trimethylbenzene
CID 107942940
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293889

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene?
The IUPAC name of 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene (CID 114032163) is 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene.
What is the SMILES notation for 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene?
The canonical SMILES for 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene is COCCOC1C(Cl)CC1Oc1cccc(C)c1C.
What is the InChIKey of 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene?
The InChIKey is WARSIHNTAADPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-10-5-4-6-13(11(10)2)19-14-9-12(16)15(14)18-8-7-17-3/h4-6,12,14-15H,7-9H2,1-3H3.
What are the key properties of 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene?
1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene has a molecular weight of 284.78 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene is sourced from PubChem (CID 114032163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).