4-[(3-bromophenyl)methoxy]benzaldehyde

C14H11BrO2 — CID 2063320

IUPAC4-[(3-bromophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C14H11BrO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2
InChIKeyRNVLQBDBEJCTRG-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.84
Rot. Bonds4

About 4-[(3-bromophenyl)methoxy]benzaldehyde

4-[(3-bromophenyl)methoxy]benzaldehyde (PubChem CID 2063320) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]benzaldehyde
PubChem CID2063320
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name4-[(3-bromophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C14H11BrO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2
InChIKeyRNVLQBDBEJCTRG-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.84
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-bromophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(3-bromophenyl)methoxy]benzaldehyde (CID 2063320) is 4-[(3-bromophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]benzaldehyde?
The InChIKey is RNVLQBDBEJCTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2.
What are the key properties of 4-[(3-bromophenyl)methoxy]benzaldehyde?
4-[(3-bromophenyl)methoxy]benzaldehyde has a molecular weight of 291.14 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 2063320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).