1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene

C14H19BrO3 — CID 104673871

IUPAC1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene
SMILESCCCOc1ccccc1OC1CC(Br)C1OC
InChIInChI=1S/C14H19BrO3/c1-3-8-17-11-6-4-5-7-12(11)18-13-9-10(15)14(13)16-2/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyVIRYNIXWSWRLDQ-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.40
Rot. Bonds6

About 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene

1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene (PubChem CID 104673871) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene
PubChem CID104673871
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene
SMILESCCCOc1ccccc1OC1CC(Br)C1OC
InChIInChI=1S/C14H19BrO3/c1-3-8-17-11-6-4-5-7-12(11)18-13-9-10(15)14(13)16-2/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyVIRYNIXWSWRLDQ-UHFFFAOYSA-N
XLogP3.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.40
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-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 116691082
1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
[2-(2-propoxyphenoxy)cycloheptyl]methanamine
CID 43294055
N-ethyl-3-(2-propoxyphenoxy)cyclobutan-1-amine
CID 66359384
2-(3-bromo-2-methoxycyclobutyl)oxy-1,3-difluorobenzene
CID 104674156
2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 107943085
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-ethylbenzene
CID 104673759
2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
CID 107942742
1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane
CID 104674096
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
2-(3-bromo-2-methoxycyclobutyl)oxy-1-tert-butyl-4-methylbenzene
CID 104673972

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene?
The IUPAC name of 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene (CID 104673871) is 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene.
What is the SMILES notation for 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene?
The canonical SMILES for 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene is CCCOc1ccccc1OC1CC(Br)C1OC.
What is the InChIKey of 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene?
The InChIKey is VIRYNIXWSWRLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-3-8-17-11-6-4-5-7-12(11)18-13-9-10(15)14(13)16-2/h4-7,10,13-14H,3,8-9H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene?
1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene has a molecular weight of 315.21 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene is sourced from PubChem (CID 104673871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).