4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde

C14H10BrClO2 — CID 121004514

IUPAC4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2Br)cc1Cl
InChIInChI=1S/C14H10BrClO2/c15-13-4-2-1-3-11(13)9-18-12-6-5-10(8-17)14(16)7-12/h1-8H,9H2
InChIKeyWPLXKSDHURIVDW-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.49
Rot. Bonds4

About 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde

4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde (PubChem CID 121004514) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde
PubChem CID121004514
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2Br)cc1Cl
InChIInChI=1S/C14H10BrClO2/c15-13-4-2-1-3-11(13)9-18-12-6-5-10(8-17)14(16)7-12/h1-8H,9H2
InChIKeyWPLXKSDHURIVDW-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde (CID 121004514) is 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde is O=Cc1ccc(OCc2ccccc2Br)cc1Cl.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde?
The InChIKey is WPLXKSDHURIVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c15-13-4-2-1-3-11(13)9-18-12-6-5-10(8-17)14(16)7-12/h1-8H,9H2.
What are the key properties of 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde?
4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde 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 4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde is sourced from PubChem (CID 121004514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).