4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde

C11H11BrO2 — CID 169475725

IUPAC4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde
SMILESCOc1cc(C=CCBr)ccc1C=O
InChIInChI=1S/C11H11BrO2/c1-14-11-7-9(3-2-6-12)4-5-10(11)8-13/h2-5,7-8H,6H2,1H3
InChIKeyLJATVBXVFFEYLQ-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.92
Rot. Bonds4

About 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde

4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde (PubChem CID 169475725) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde
PubChem CID169475725
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde
SMILESCOc1cc(C=CCBr)ccc1C=O
InChIInChI=1S/C11H11BrO2/c1-14-11-7-9(3-2-6-12)4-5-10(11)8-13/h2-5,7-8H,6H2,1H3
InChIKeyLJATVBXVFFEYLQ-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminobut-1-enyl)-2-methoxybenzaldehyde
CID 170487189
5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
CID 169476016
4-(3-bromoprop-1-enyl)-2-methoxybenzonitrile
CID 169475907
4-[(E)-3,6-dioxohept-1-enyl]-2-methoxybenzaldehyde
CID 126550662
4-(4-bromobut-1-ynyl)-2-methoxybenzaldehyde
CID 170466359
4-(3-formyl-4-methoxyphenyl)but-3-enenitrile
CID 170799939
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
5-(4-chlorobut-1-enyl)-2-methoxybenzaldehyde
CID 170499390
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde?
The IUPAC name of 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde (CID 169475725) is 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde is COc1cc(C=CCBr)ccc1C=O.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde?
The InChIKey is LJATVBXVFFEYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-14-11-7-9(3-2-6-12)4-5-10(11)8-13/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde?
4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde has a molecular weight of 255.11 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 169475725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).