6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde

C15H12BrClO3 — CID 66528864

IUPAC6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1OCc1ccccc1Cl
InChIInChI=1S/C15H12BrClO3/c1-19-14-7-6-12(16)11(8-18)15(14)20-9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3
InChIKeyOAMFONYFQJDIHZ-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.50
Rot. Bonds5

About 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde

6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde (PubChem CID 66528864) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
PubChem CID66528864
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1OCc1ccccc1Cl
InChIInChI=1S/C15H12BrClO3/c1-19-14-7-6-12(16)11(8-18)15(14)20-9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3
InChIKeyOAMFONYFQJDIHZ-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66529281
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66536038
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 66538742
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66536113
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 66535982
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 66536080
1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene
CID 58352129
2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
CID 1253349

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde (CID 66528864) is 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde is COc1ccc(Br)c(C=O)c1OCc1ccccc1Cl.
What is the InChIKey of 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is OAMFONYFQJDIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c1-19-14-7-6-12(16)11(8-18)15(14)20-9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3.
What are the key properties of 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde?
6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 355.62 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 66528864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).