3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde

C14H10Br2O2 — CID 55225437

IUPAC3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Br)c1OCc1cccc(Br)c1
InChIInChI=1S/C14H10Br2O2/c15-12-5-1-3-10(7-12)9-18-14-11(8-17)4-2-6-13(14)16/h1-8H,9H2
InChIKeyZBTFZSXQSDJTBY-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.60
Rot. Bonds4

About 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde

3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde (PubChem CID 55225437) has the molecular formula C14H10Br2O2 and a molecular weight of 370.04 g/mol. Its IUPAC name is 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
PubChem CID55225437
Molecular FormulaC14H10Br2O2
Molecular Weight370.04 g/mol
Exact Mass367.90
IUPAC Name3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Br)c1OCc1cccc(Br)c1
InChIInChI=1S/C14H10Br2O2/c15-12-5-1-3-10(7-12)9-18-14-11(8-17)4-2-6-13(14)16/h1-8H,9H2
InChIKeyZBTFZSXQSDJTBY-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.60
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

2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde
CID 4767295
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594
methyl 4-[(2-bromo-6-formylphenoxy)methyl]benzoate
CID 61390817
3-bromo-2-[2-(4-bromophenoxy)ethoxy]benzaldehyde
CID 63529192
3-bromo-2-(3-methyl-2-phenylmethoxyphenoxy)benzaldehyde
CID 156873184
3-bromo-2-butoxybenzaldehyde
CID 61390829
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
3-[3-bromo-2-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 76997960
3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde
CID 61391450
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde (CID 55225437) is 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde is O=Cc1cccc(Br)c1OCc1cccc(Br)c1.
What is the InChIKey of 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde?
The InChIKey is ZBTFZSXQSDJTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O2/c15-12-5-1-3-10(7-12)9-18-14-11(8-17)4-2-6-13(14)16/h1-8H,9H2.
What are the key properties of 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde?
3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde has a molecular weight of 370.04 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 55225437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).