1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene

C11H12BrIO — CID 65008691

IUPAC1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene
SMILESBrCC1(COc2cccc(I)c2)CC1
InChIInChI=1S/C11H12BrIO/c12-7-11(4-5-11)8-14-10-3-1-2-9(13)6-10/h1-3,6H,4-5,7-8H2
InChIKeyNHNNLFDHRUQMRI-UHFFFAOYSA-N
MW367.02 g/mol
LogP3.85
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene

1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene (PubChem CID 65008691) has the molecular formula C11H12BrIO and a molecular weight of 367.02 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene
PubChem CID65008691
Molecular FormulaC11H12BrIO
Molecular Weight367.02 g/mol
Exact Mass365.91
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene
SMILESBrCC1(COc2cccc(I)c2)CC1
InChIInChI=1S/C11H12BrIO/c12-7-11(4-5-11)8-14-10-3-1-2-9(13)6-10/h1-3,6H,4-5,7-8H2
InChIKeyNHNNLFDHRUQMRI-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.02
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
1-(bromomethyl)-1-[(3-methoxyphenoxy)methyl]cycloheptane
CID 65009956
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
CID 65008158
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-methylsulfonylbenzene
CID 65008108
1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65203699
1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65008634
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
1-[[1-(bromomethyl)cyclohexyl]methoxy]-3-methylsulfonylbenzene
CID 65002554
4-(bromomethyl)-4-[[3-(trifluoromethyl)phenoxy]methyl]oxane
CID 65004885
4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
CID 82716872

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene (CID 65008691) is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene is BrCC1(COc2cccc(I)c2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene?
The InChIKey is NHNNLFDHRUQMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrIO/c12-7-11(4-5-11)8-14-10-3-1-2-9(13)6-10/h1-3,6H,4-5,7-8H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene?
1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene has a molecular weight of 367.02 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene is sourced from PubChem (CID 65008691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).