2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde

C15H12BrFO2 — CID 79705645

IUPAC2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
SMILESCc1ccc(OCc2cc(F)cc(Br)c2)c(C=O)c1
InChIInChI=1S/C15H12BrFO2/c1-10-2-3-15(12(4-10)8-18)19-9-11-5-13(16)7-14(17)6-11/h2-8H,9H2,1H3
InChIKeyAHLITSQFKUDTQQ-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.29
Rot. Bonds4

About 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde

2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde (PubChem CID 79705645) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
PubChem CID79705645
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
SMILESCc1ccc(OCc2cc(F)cc(Br)c2)c(C=O)c1
InChIInChI=1S/C15H12BrFO2/c1-10-2-3-15(12(4-10)8-18)19-9-11-5-13(16)7-14(17)6-11/h2-8H,9H2,1H3
InChIKeyAHLITSQFKUDTQQ-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 79706071
4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 79700724
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
CID 115961884
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 79705064

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde (CID 79705645) is 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde is Cc1ccc(OCc2cc(F)cc(Br)c2)c(C=O)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde?
The InChIKey is AHLITSQFKUDTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-10-2-3-15(12(4-10)8-18)19-9-11-5-13(16)7-14(17)6-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde?
2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde has a molecular weight of 323.16 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 79705645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).