1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene

C13H17BrO — CID 81351636

IUPAC1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene
SMILESCCOc1ccccc1C1(C)CC1CBr
InChIInChI=1S/C13H17BrO/c1-3-15-12-7-5-4-6-11(12)13(2)8-10(13)9-14/h4-7,10H,3,8-9H2,1-2H3
InChIKeyFWEHOJUNMCRICR-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.76
Rot. Bonds4

About 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene

1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene (PubChem CID 81351636) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene
PubChem CID81351636
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene
SMILESCCOc1ccccc1C1(C)CC1CBr
InChIInChI=1S/C13H17BrO/c1-3-15-12-7-5-4-6-11(12)13(2)8-10(13)9-14/h4-7,10H,3,8-9H2,1-2H3
InChIKeyFWEHOJUNMCRICR-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
CID 105445462
[2-(2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358735
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
CID 116540045
[1-(2-ethoxyphenyl)cyclopropyl]methanol
CID 105425266
1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol
CID 64514301
2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
CID 62800564
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
3-(2-ethoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171961327
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538437
3-(2-ethoxyphenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171961329
1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
CID 66048885
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene?
The IUPAC name of 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene (CID 81351636) is 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene?
The canonical SMILES for 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene is CCOc1ccccc1C1(C)CC1CBr.
What is the InChIKey of 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene?
The InChIKey is FWEHOJUNMCRICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-3-15-12-7-5-4-6-11(12)13(2)8-10(13)9-14/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene?
1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene has a molecular weight of 269.18 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene is sourced from PubChem (CID 81351636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).