4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde

C15H12BrClO2 — CID 156559624

IUPAC4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde
SMILESCCOc1cc(-c2cccc(Br)c2Cl)ccc1C=O
InChIInChI=1S/C15H12BrClO2/c1-2-19-14-8-10(6-7-11(14)9-18)12-4-3-5-13(16)15(12)17/h3-9H,2H2,1H3
InChIKeyFBTTWWUBJVKMSD-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.98
Rot. Bonds4

About 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde

4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde (PubChem CID 156559624) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde.

Molecular Properties

Compound Name4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde
PubChem CID156559624
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde
SMILESCCOc1cc(-c2cccc(Br)c2Cl)ccc1C=O
InChIInChI=1S/C15H12BrClO2/c1-2-19-14-8-10(6-7-11(14)9-18)12-4-3-5-13(16)15(12)17/h3-9H,2H2,1H3
InChIKeyFBTTWWUBJVKMSD-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde?
The IUPAC name of 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde (CID 156559624) is 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde.
What is the SMILES notation for 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde?
The canonical SMILES for 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde is CCOc1cc(-c2cccc(Br)c2Cl)ccc1C=O.
What is the InChIKey of 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde?
The InChIKey is FBTTWWUBJVKMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-2-19-14-8-10(6-7-11(14)9-18)12-4-3-5-13(16)15(12)17/h3-9H,2H2,1H3.
What are the key properties of 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde?
4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde has a molecular weight of 339.62 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-chlorophenyl)-2-ethoxybenzaldehyde is sourced from PubChem (CID 156559624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).