5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde

C14H10BrClO2 — CID 882526

IUPAC5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C14H10BrClO2/c15-12-5-6-14(11(7-12)8-17)18-9-10-3-1-2-4-13(10)16/h1-8H,9H2
InChIKeyKSQWNQYGMMPIHG-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.49
Rot. Bonds4

About 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde

5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde (PubChem CID 882526) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
PubChem CID882526
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C14H10BrClO2/c15-12-5-6-14(11(7-12)8-17)18-9-10-3-1-2-4-13(10)16/h1-8H,9H2
InChIKeyKSQWNQYGMMPIHG-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.49
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-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 2063319
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
(NZ)-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 51491083
(Z)-3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42309429
methyl (E)-3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 102535216
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219723
5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde
CID 28838282
2-[(5-bromo-2-methoxyphenyl)methoxy]benzaldehyde
CID 60710592
5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]benzaldehyde
CID 114346022
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126184009

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde (CID 882526) is 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde is O=Cc1cc(Br)ccc1OCc1ccccc1Cl.
What is the InChIKey of 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde?
The InChIKey is KSQWNQYGMMPIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c15-12-5-6-14(11(7-12)8-17)18-9-10-3-1-2-4-13(10)16/h1-8H,9H2.
What are the key properties of 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde?
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde has a molecular weight of 325.59 g/mol, XLogP of 4.49, 4 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)methoxy]benzaldehyde is sourced from PubChem (CID 882526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).