2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde

C9H8BrClO2 — CID 83902189

IUPAC2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde
SMILESCOc1cc(CC=O)c(Cl)cc1Br
InChIInChI=1S/C9H8BrClO2/c1-13-9-4-6(2-3-12)8(11)5-7(9)10/h3-5H,2H2,1H3
InChIKeyVZCRHQZLQGWVHS-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde

2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde (PubChem CID 83902189) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde
PubChem CID83902189
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde
SMILESCOc1cc(CC=O)c(Cl)cc1Br
InChIInChI=1S/C9H8BrClO2/c1-13-9-4-6(2-3-12)8(11)5-7(9)10/h3-5H,2H2,1H3
InChIKeyVZCRHQZLQGWVHS-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433
2-(4-bromo-5-methoxy-2-nitrophenyl)acetaldehyde
CID 172609381
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
2-(2,5-dibromo-4-methoxyphenoxy)acetaldehyde
CID 79404227
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)acetaldehyde
CID 88540358
1-bromo-4-chloro-5-(isocyanatomethyl)-2-methoxybenzene
CID 117443198
1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol
CID 117448579
2-(3-bromo-4,5-dimethoxyphenyl)acetaldehyde
CID 59259548
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde (CID 83902189) is 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde is COc1cc(CC=O)c(Cl)cc1Br.
What is the InChIKey of 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde?
The InChIKey is VZCRHQZLQGWVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-13-9-4-6(2-3-12)8(11)5-7(9)10/h3-5H,2H2,1H3.
What are the key properties of 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde?
2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde has a molecular weight of 263.52 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 83902189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).