5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde

C11H11BrO3 — CID 169476016

IUPAC5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=CCBr)cc(C=O)c1O
InChIInChI=1S/C11H11BrO3/c1-15-10-6-8(3-2-4-12)5-9(7-13)11(10)14/h2-3,5-7,14H,4H2,1H3
InChIKeyYNTLDVAFDSIRIW-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.62
Rot. Bonds4

About 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde

5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 169476016) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
PubChem CID169476016
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=CCBr)cc(C=O)c1O
InChIInChI=1S/C11H11BrO3/c1-15-10-6-8(3-2-4-12)5-9(7-13)11(10)14/h2-3,5-7,14H,4H2,1H3
InChIKeyYNTLDVAFDSIRIW-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169474143
4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde
CID 169475725
5-[2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 155677733
5-[(E)-2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 139536308
2-hydroxy-3-methoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 139552593
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
3-[3-(4-bromobut-1-enyl)-4-hydroxy-5-methoxyphenyl]prop-2-enoic acid
CID 170498399
2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
CID 89289969
2-hydroxy-3-methoxy-5-[2-(4-pyrrolidin-1-ylphenyl)ethenyl]benzaldehyde
CID 175083066
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde (CID 169476016) is 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde is COc1cc(C=CCBr)cc(C=O)c1O.
What is the InChIKey of 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is YNTLDVAFDSIRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-15-10-6-8(3-2-4-12)5-9(7-13)11(10)14/h2-3,5-7,14H,4H2,1H3.
What are the key properties of 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde?
5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 271.11 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 169476016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).