(Z)-1-[bromo(iodo)methoxy]prop-1-ene

C4H6BrIO — CID 173414293

IUPAC(Z)-1-[bromo(iodo)methoxy]prop-1-ene
SMILESC/C=C\OC(Br)I
InChIInChI=1S/C4H6BrIO/c1-2-3-7-4(5)6/h2-4H,1H3/b3-2-
InChIKeyJJDIGWFEJKJPGY-IHWYPQMZSA-N
MW276.90 g/mol
LogP2.65
Rot. Bonds2

About (Z)-1-[bromo(iodo)methoxy]prop-1-ene

(Z)-1-[bromo(iodo)methoxy]prop-1-ene (PubChem CID 173414293) has the molecular formula C4H6BrIO and a molecular weight of 276.90 g/mol. Its IUPAC name is (Z)-1-[bromo(iodo)methoxy]prop-1-ene.

Molecular Properties

Compound Name(Z)-1-[bromo(iodo)methoxy]prop-1-ene
PubChem CID173414293
Molecular FormulaC4H6BrIO
Molecular Weight276.90 g/mol
Exact Mass275.86
IUPAC Name(Z)-1-[bromo(iodo)methoxy]prop-1-ene
SMILESC/C=C\OC(Br)I
InChIInChI=1S/C4H6BrIO/c1-2-3-7-4(5)6/h2-4H,1H3/b3-2-
InChIKeyJJDIGWFEJKJPGY-IHWYPQMZSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.90
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (Z)-1-[bromo(iodo)methoxy]prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-prop-1-enoxy]butane
CID 22498076
2-[(Z)-prop-1-enoxy]propan-1-ol
CID 134346043
2-methyl-3-prop-1-enoxybutan-2-ol
CID 123962171
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176605409
ethylidene(1-prop-1-enoxypropyl)silane
CID 173333632
1,2-bis(prop-1-enoxy)butane
CID 87913408
(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene
CID 118181315
1-isocyano-2-prop-1-enoxypropane
CID 141153723
prop-1-enylmercury
CID 154078455
1-prop-1-enoxypentan-1-ol
CID 87692033
[(1S)-1-[(E)-prop-1-enoxy]ethyl]benzene
CID 10080688
2-[(Z)-2-bromoethenoxy]propane
CID 131242126

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[bromo(iodo)methoxy]prop-1-ene?
The IUPAC name of (Z)-1-[bromo(iodo)methoxy]prop-1-ene (CID 173414293) is (Z)-1-[bromo(iodo)methoxy]prop-1-ene.
What is the SMILES notation for (Z)-1-[bromo(iodo)methoxy]prop-1-ene?
The canonical SMILES for (Z)-1-[bromo(iodo)methoxy]prop-1-ene is C/C=C\OC(Br)I.
What is the InChIKey of (Z)-1-[bromo(iodo)methoxy]prop-1-ene?
The InChIKey is JJDIGWFEJKJPGY-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H6BrIO/c1-2-3-7-4(5)6/h2-4H,1H3/b3-2-.
What are the key properties of (Z)-1-[bromo(iodo)methoxy]prop-1-ene?
(Z)-1-[bromo(iodo)methoxy]prop-1-ene has a molecular weight of 276.90 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[bromo(iodo)methoxy]prop-1-ene is sourced from PubChem (CID 173414293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).