1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene

C12H15ClO3 — CID 104673828

IUPAC1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene
SMILESCOc1ccccc1OC1CC(Cl)C1OC
InChIInChI=1S/C12H15ClO3/c1-14-9-5-3-4-6-10(9)16-11-7-8(13)12(11)15-2/h3-6,8,11-12H,7H2,1-2H3
InChIKeyCJUGCTXMODWWME-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.47
Rot. Bonds4

About 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene

1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene (PubChem CID 104673828) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene.

Molecular Properties

Compound Name1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene
PubChem CID104673828
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene
SMILESCOc1ccccc1OC1CC(Cl)C1OC
InChIInChI=1S/C12H15ClO3/c1-14-9-5-3-4-6-10(9)16-11-7-8(13)12(11)15-2/h3-6,8,11-12H,7H2,1-2H3
InChIKeyCJUGCTXMODWWME-UHFFFAOYSA-N
XLogP2.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
CID 113439682
2-(3-chloro-2-methoxycyclobutyl)oxy-1,3-dimethylbenzene
CID 104673765
1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
CID 104673772
1-(3-chloro-2-methoxycyclobutyl)oxy-4-methylbenzene
CID 104673868
4-bromo-2-(3-chloro-2-methoxycyclobutyl)oxy-1-methylbenzene
CID 107287257
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 104673541
1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene
CID 104674108
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene
CID 114032163
4-(3-chloro-2-methoxycyclobutyl)oxy-2-fluoro-1-methylbenzene
CID 107171631

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene?
The IUPAC name of 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene (CID 104673828) is 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene.
What is the SMILES notation for 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene?
The canonical SMILES for 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene is COc1ccccc1OC1CC(Cl)C1OC.
What is the InChIKey of 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene?
The InChIKey is CJUGCTXMODWWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-14-9-5-3-4-6-10(9)16-11-7-8(13)12(11)15-2/h3-6,8,11-12H,7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene?
1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene has a molecular weight of 242.70 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene is sourced from PubChem (CID 104673828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).