1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene

C14H19BrO2 — CID 66048220

IUPAC1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene
SMILESCOc1ccccc1OCCC1(CBr)CCC1
InChIInChI=1S/C14H19BrO2/c1-16-12-5-2-3-6-13(12)17-10-9-14(11-15)7-4-8-14/h2-3,5-6H,4,7-11H2,1H3
InChIKeyAGRUCYNCYKRTEW-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.03
Rot. Bonds6

About 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene

1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene (PubChem CID 66048220) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene
PubChem CID66048220
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene
SMILESCOc1ccccc1OCCC1(CBr)CCC1
InChIInChI=1S/C14H19BrO2/c1-16-12-5-2-3-6-13(12)17-10-9-14(11-15)7-4-8-14/h2-3,5-6H,4,7-11H2,1H3
InChIKeyAGRUCYNCYKRTEW-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.03
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

1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
CID 66048885
[1-[2-(2-methoxyphenoxy)ethyl]cyclopropyl]methanamine
CID 66026414
1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
CID 141005343
[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
CID 91836426
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-methoxy-4-methylbenzene
CID 65008049
2-[1-(bromomethyl)cyclopentyl]ethylsulfanylbenzene
CID 79223410
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 83080487
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
2-(2-methoxyphenoxy)ethyl-methylazanium
CID 7438015
1-[(2-methoxyphenoxy)methyl]cyclohexan-1-amine
CID 84698885

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene?
The IUPAC name of 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene (CID 66048220) is 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene.
What is the SMILES notation for 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene?
The canonical SMILES for 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene is COc1ccccc1OCCC1(CBr)CCC1.
What is the InChIKey of 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene?
The InChIKey is AGRUCYNCYKRTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-16-12-5-2-3-6-13(12)17-10-9-14(11-15)7-4-8-14/h2-3,5-6H,4,7-11H2,1H3.
What are the key properties of 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene?
1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene has a molecular weight of 299.21 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene is sourced from PubChem (CID 66048220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).