5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde

C14H10BrClO2 — CID 87697435

IUPAC5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde
SMILESCOc1cc(-c2ccccc2Cl)c(C=O)cc1Br
InChIInChI=1S/C14H10BrClO2/c1-18-14-7-11(9(8-17)6-12(14)15)10-4-2-3-5-13(10)16/h2-8H,1H3
InChIKeyMPKJLSYZFVEMNI-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.59
Rot. Bonds3

About 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde

5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde (PubChem CID 87697435) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde
PubChem CID87697435
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde
SMILESCOc1cc(-c2ccccc2Cl)c(C=O)cc1Br
InChIInChI=1S/C14H10BrClO2/c1-18-14-7-11(9(8-17)6-12(14)15)10-4-2-3-5-13(10)16/h2-8H,1H3
InChIKeyMPKJLSYZFVEMNI-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.59
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

5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224803
1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene
CID 16741994
2-(5-bromo-4-methoxy-2-nitrophenyl)benzaldehyde
CID 175450358
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633197
4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde
CID 175877796
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde
CID 175347635
6-(2-methoxyphenyl)-1,3-benzodioxole-5-carbaldehyde
CID 172909252
4-chloro-5-(2-chlorophenyl)-2-hydroxybenzaldehyde
CID 145048893
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde?
The IUPAC name of 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde (CID 87697435) is 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde?
The canonical SMILES for 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde is COc1cc(-c2ccccc2Cl)c(C=O)cc1Br.
What is the InChIKey of 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde?
The InChIKey is MPKJLSYZFVEMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c1-18-14-7-11(9(8-17)6-12(14)15)10-4-2-3-5-13(10)16/h2-8H,1H3.
What are the key properties of 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde?
5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde has a molecular weight of 325.59 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 87697435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).