2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene

C13H15BrO2 — CID 177059290

IUPAC2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene
SMILESCOC(Cc1ccc(OC)c(Br)c1)=C1CC1
InChIInChI=1S/C13H15BrO2/c1-15-12-6-3-9(7-11(12)14)8-13(16-2)10-4-5-10/h3,6-7H,4-5,8H2,1-2H3
InChIKeyPSOIKVLDJGDPIG-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.69
Rot. Bonds4

About 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene

2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene (PubChem CID 177059290) has the molecular formula C13H15BrO2 and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene
PubChem CID177059290
Molecular FormulaC13H15BrO2
Molecular Weight283.17 g/mol
Exact Mass282.03
IUPAC Name2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene
SMILESCOC(Cc1ccc(OC)c(Br)c1)=C1CC1
InChIInChI=1S/C13H15BrO2/c1-15-12-6-3-9(7-11(12)14)8-13(16-2)10-4-5-10/h3,6-7H,4-5,8H2,1-2H3
InChIKeyPSOIKVLDJGDPIG-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propan-2-one
CID 116553852
2-(3-bromo-4-methoxyphenyl)-N-oxoacetamide
CID 89050069
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397707
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
1-(3-bromo-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562954
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene?
The IUPAC name of 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene (CID 177059290) is 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene is COC(Cc1ccc(OC)c(Br)c1)=C1CC1.
What is the InChIKey of 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene?
The InChIKey is PSOIKVLDJGDPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-15-12-6-3-9(7-11(12)14)8-13(16-2)10-4-5-10/h3,6-7H,4-5,8H2,1-2H3.
What are the key properties of 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene?
2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene has a molecular weight of 283.17 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-cyclopropylidene-2-methoxyethyl)-1-methoxybenzene is sourced from PubChem (CID 177059290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).