2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde

C10H8BrClO — CID 169475353

IUPAC2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1C=CCBr
InChIInChI=1S/C10H8BrClO/c11-5-1-2-8-3-4-10(12)6-9(8)7-13/h1-4,6-7H,5H2
InChIKeyYNBAESGVATVBPD-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.56
Rot. Bonds3

About 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde

2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde (PubChem CID 169475353) has the molecular formula C10H8BrClO and a molecular weight of 259.53 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde
PubChem CID169475353
Molecular FormulaC10H8BrClO
Molecular Weight259.53 g/mol
Exact Mass257.94
IUPAC Name2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1C=CCBr
InChIInChI=1S/C10H8BrClO/c11-5-1-2-8-3-4-10(12)6-9(8)7-13/h1-4,6-7H,5H2
InChIKeyYNBAESGVATVBPD-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
CID 169475773
4-(2-bromo-5-chlorophenyl)but-3-enal
CID 170482888
methyl 3-(4-chloro-2-formylphenyl)prop-2-enoate
CID 75631786
(E)-4-(2,4-dichlorophenyl)but-3-enal
CID 87333771
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
CID 169475530
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
CID 161490550
4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde
CID 169475725
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
4-chloro-2-[(1E)-4-oxobuta-1,3-dienyl]benzaldehyde
CID 172555490
1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
CID 169476208
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
3-(2,4-dichlorophenyl)prop-2-enyl formate
CID 90884165

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde?
The IUPAC name of 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde (CID 169475353) is 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde is O=Cc1cc(Cl)ccc1C=CCBr.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde?
The InChIKey is YNBAESGVATVBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO/c11-5-1-2-8-3-4-10(12)6-9(8)7-13/h1-4,6-7H,5H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde?
2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde has a molecular weight of 259.53 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde is sourced from PubChem (CID 169475353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).