1-(Bromomethoxy)-2-cyclopropylbenzene

C10H11BrO — CID 174624638

IUPAC1-(bromomethoxy)-2-cyclopropylbenzene
SMILESC1CC1C2=CC=CC=C2OCBr
InChIInChI=1S/C10H11BrO/c11-7-12-10-4-2-1-3-9(10)8-5-6-8/h1-4,8H,5-7H2
InChIKeyMZLUGFVFZNNFEX-UHFFFAOYSA-N
MW227.10 g/mol
LogP4.20
Rot. Bonds3

About 1-(Bromomethoxy)-2-cyclopropylbenzene

1-(Bromomethoxy)-2-cyclopropylbenzene (PubChem CID 174624638) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-(bromomethoxy)-2-cyclopropylbenzene.

Molecular Properties

Compound Name1-(Bromomethoxy)-2-cyclopropylbenzene
PubChem CID174624638
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-(bromomethoxy)-2-cyclopropylbenzene
SMILESC1CC1C2=CC=CC=C2OCBr
InChIInChI=1S/C10H11BrO/c11-7-12-10-4-2-1-3-9(10)8-5-6-8/h1-4,8H,5-7H2
InChIKeyMZLUGFVFZNNFEX-UHFFFAOYSA-N
XLogP4.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(Bromomethoxy)-2-cyclopropylbenzene?
The IUPAC name of 1-(Bromomethoxy)-2-cyclopropylbenzene (CID 174624638) is 1-(bromomethoxy)-2-cyclopropylbenzene.
What is the SMILES notation for 1-(Bromomethoxy)-2-cyclopropylbenzene?
The canonical SMILES for 1-(Bromomethoxy)-2-cyclopropylbenzene is C1CC1C2=CC=CC=C2OCBr.
What is the InChIKey of 1-(Bromomethoxy)-2-cyclopropylbenzene?
The InChIKey is MZLUGFVFZNNFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-7-12-10-4-2-1-3-9(10)8-5-6-8/h1-4,8H,5-7H2.
What are the key properties of 1-(Bromomethoxy)-2-cyclopropylbenzene?
1-(Bromomethoxy)-2-cyclopropylbenzene has a molecular weight of 227.10 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(Bromomethoxy)-2-cyclopropylbenzene is sourced from PubChem (CID 174624638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).