4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene

C15H21ClO — CID 66344077

IUPAC4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
SMILESCc1cc(C(C)(C)C)ccc1OC1CC(Cl)C1
InChIInChI=1S/C15H21ClO/c1-10-7-11(15(2,3)4)5-6-14(10)17-13-8-12(16)9-13/h5-7,12-13H,8-9H2,1-4H3
InChIKeyCARLBWSXCAGGHC-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.44
Rot. Bonds2

About 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene

4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene (PubChem CID 66344077) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene.

Molecular Properties

Compound Name4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
PubChem CID66344077
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
SMILESCc1cc(C(C)(C)C)ccc1OC1CC(Cl)C1
InChIInChI=1S/C15H21ClO/c1-10-7-11(15(2,3)4)5-6-14(10)17-13-8-12(16)9-13/h5-7,12-13H,8-9H2,1-4H3
InChIKeyCARLBWSXCAGGHC-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
CID 66345584
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932
3-(4-tert-butyl-2-methylphenoxy)cyclopentan-1-one
CID 112724669
(2S,4R)-4-(4-tert-butyl-2-methylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 98006868
2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine
CID 64751598
4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene
CID 131059149
1-(3-bromo-2,2-diethylcyclobutyl)oxy-4-tert-butyl-2-methylbenzene
CID 66344495
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-4-tert-butyl-2-methylbenzene
CID 66344712
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676317
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene?
The IUPAC name of 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene (CID 66344077) is 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene.
What is the SMILES notation for 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene?
The canonical SMILES for 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene is Cc1cc(C(C)(C)C)ccc1OC1CC(Cl)C1.
What is the InChIKey of 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene?
The InChIKey is CARLBWSXCAGGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-10-7-11(15(2,3)4)5-6-14(10)17-13-8-12(16)9-13/h5-7,12-13H,8-9H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene?
4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene has a molecular weight of 252.78 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene is sourced from PubChem (CID 66344077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).