1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene

C13H17BrO2 — CID 65008523

IUPAC1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
SMILESCCOc1ccccc1OCC1(CBr)CC1
InChIInChI=1S/C13H17BrO2/c1-2-15-11-5-3-4-6-12(11)16-10-13(9-14)7-8-13/h3-6H,2,7-10H2,1H3
InChIKeyDAQOHIIVXVBYLR-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.64
Rot. Bonds6

About 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene

1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene (PubChem CID 65008523) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
PubChem CID65008523
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
SMILESCCOc1ccccc1OCC1(CBr)CC1
InChIInChI=1S/C13H17BrO2/c1-2-15-11-5-3-4-6-12(11)16-10-13(9-14)7-8-13/h3-6H,2,7-10H2,1H3
InChIKeyDAQOHIIVXVBYLR-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)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
CID 66048885
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene
CID 65008525
4-(bromomethyl)-4-[(2-ethylphenoxy)methyl]oxane
CID 65004786
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-iodobenzene
CID 65002254
1-(bromomethyl)-1-[(2-prop-1-enylphenoxy)methyl]cycloheptane
CID 77052674
4-(bromomethyl)-4-[(2-methylsulfanylphenoxy)methyl]oxane
CID 65004385
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657626
1-(bromomethyl)-1-[[2-(trifluoromethyl)phenoxy]methyl]cycloheptane
CID 65010543

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene (CID 65008523) is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene is CCOc1ccccc1OCC1(CBr)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene?
The InChIKey is DAQOHIIVXVBYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-2-15-11-5-3-4-6-12(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]-2-ethoxybenzene?
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-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]-2-ethoxybenzene is sourced from PubChem (CID 65008523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).