3-[(3-bromophenyl)methoxy]benzaldehyde

C14H11BrO2 — CID 3596769

IUPAC3-[(3-bromophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C14H11BrO2/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-9H,10H2
InChIKeyVLPAVSIRLRIOPD-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.84
Rot. Bonds4

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

3-[(3-bromophenyl)methoxy]benzaldehyde (PubChem CID 3596769) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]benzaldehyde
PubChem CID3596769
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name3-[(3-bromophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C14H11BrO2/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-9H,10H2
InChIKeyVLPAVSIRLRIOPD-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 3-[(3-bromophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(3-bromophenyl)methoxy]benzaldehyde (CID 3596769) is 3-[(3-bromophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]benzaldehyde is O=Cc1cccc(OCc2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]benzaldehyde?
The InChIKey is VLPAVSIRLRIOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-9H,10H2.
What are the key properties of 3-[(3-bromophenyl)methoxy]benzaldehyde?
3-[(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 3-[(3-bromophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 3596769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).