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

C15H21BrO2 — CID 66048885

IUPAC1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
SMILESCCOc1ccccc1OCCC1(CBr)CCC1
InChIInChI=1S/C15H21BrO2/c1-2-17-13-6-3-4-7-14(13)18-11-10-15(12-16)8-5-9-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyDZQWQSPSGJTJHK-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.42
Rot. Bonds7

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

1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene (PubChem CID 66048885) has the molecular formula C15H21BrO2 and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene.

Molecular Properties

Compound Name1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
PubChem CID66048885
Molecular FormulaC15H21BrO2
Molecular Weight313.23 g/mol
Exact Mass312.07
IUPAC Name1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
SMILESCCOc1ccccc1OCCC1(CBr)CCC1
InChIInChI=1S/C15H21BrO2/c1-2-17-13-6-3-4-7-14(13)18-11-10-15(12-16)8-5-9-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyDZQWQSPSGJTJHK-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene?
The IUPAC name of 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene (CID 66048885) is 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene.
What is the SMILES notation for 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene?
The canonical SMILES for 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene is CCOc1ccccc1OCCC1(CBr)CCC1.
What is the InChIKey of 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene?
The InChIKey is DZQWQSPSGJTJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-2-17-13-6-3-4-7-14(13)18-11-10-15(12-16)8-5-9-15/h3-4,6-7H,2,5,8-12H2,1H3.
What are the key properties of 1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene?
1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene has a molecular weight of 313.23 g/mol, XLogP of 4.42, 7 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-ethoxybenzene is sourced from PubChem (CID 66048885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).