1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene

C13H17BrO2 — CID 65008315

IUPAC1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
SMILESCCOc1ccc(OCC2(CBr)CC2)cc1
InChIInChI=1S/C13H17BrO2/c1-2-15-11-3-5-12(6-4-11)16-10-13(9-14)7-8-13/h3-6H,2,7-10H2,1H3
InChIKeySQZAGTAZCWRQRH-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.64
Rot. Bonds6

About 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene

1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene (PubChem CID 65008315) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
PubChem CID65008315
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
SMILESCCOc1ccc(OCC2(CBr)CC2)cc1
InChIInChI=1S/C13H17BrO2/c1-2-15-11-3-5-12(6-4-11)16-10-13(9-14)7-8-13/h3-6H,2,7-10H2,1H3
InChIKeySQZAGTAZCWRQRH-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.64
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-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
CID 65008158
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene
CID 65001091
4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
CID 82716872
1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone
CID 65001694
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
1-[[1-(bromomethyl)cyclobutyl]methoxy]-4-methylsulfonylbenzene
CID 65008059

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene (CID 65008315) is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene is CCOc1ccc(OCC2(CBr)CC2)cc1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene?
The InChIKey is SQZAGTAZCWRQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-2-15-11-3-5-12(6-4-11)16-10-13(9-14)7-8-13/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene?
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene has a molecular weight of 285.18 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene is sourced from PubChem (CID 65008315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).