1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene

C15H21ClO2 — CID 113439682

IUPAC1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
SMILESCOC1C(Cl)CC1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H21ClO2/c1-15(2,3)10-7-5-6-8-12(10)18-13-9-11(16)14(13)17-4/h5-8,11,13-14H,9H2,1-4H3
InChIKeyJTTGDJMXLRDYLR-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.76
Rot. Bonds3

About 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene

1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene (PubChem CID 113439682) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene.

Molecular Properties

Compound Name1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
PubChem CID113439682
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
SMILESCOC1C(Cl)CC1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H21ClO2/c1-15(2,3)10-7-5-6-8-12(10)18-13-9-11(16)14(13)17-4/h5-8,11,13-14H,9H2,1-4H3
InChIKeyJTTGDJMXLRDYLR-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol
CID 113439648
1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene
CID 104673828
3-(2-tert-butylphenoxy)-2-ethoxycyclobutan-1-amine
CID 104675934
2-(3-chloro-2-methoxycyclobutyl)oxy-1,3-dimethylbenzene
CID 104673765
2-(3-bromo-2-methoxycyclobutyl)oxy-1-tert-butyl-4-methylbenzene
CID 104673972
1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-methoxybenzene
CID 104673856
3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674215
1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-ethylbenzene
CID 104673759
methyl (2S,4S)-4-(2-tert-butylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831459
1-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)oxybenzene
CID 82084597
1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene
CID 15755466
1-tert-butyl-2-dichlorophosphoryloxybenzene
CID 22751830

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene?
The IUPAC name of 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene (CID 113439682) is 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene.
What is the SMILES notation for 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene?
The canonical SMILES for 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene is COC1C(Cl)CC1Oc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene?
The InChIKey is JTTGDJMXLRDYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-15(2,3)10-7-5-6-8-12(10)18-13-9-11(16)14(13)17-4/h5-8,11,13-14H,9H2,1-4H3.
What are the key properties of 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene?
1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene has a molecular weight of 268.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene is sourced from PubChem (CID 113439682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).