2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde

C16H15BrO3 — CID 43174574

IUPAC2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1cccc(Br)c1
InChIInChI=1S/C16H15BrO3/c1-2-19-15-8-4-6-13(10-18)16(15)20-11-12-5-3-7-14(17)9-12/h3-10H,2,11H2,1H3
InChIKeyWSJJYUDGSKZCEV-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.24
Rot. Bonds6

About 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde

2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde (PubChem CID 43174574) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
PubChem CID43174574
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1cccc(Br)c1
InChIInChI=1S/C16H15BrO3/c1-2-19-15-8-4-6-13(10-18)16(15)20-11-12-5-3-7-14(17)9-12/h3-10H,2,11H2,1H3
InChIKeyWSJJYUDGSKZCEV-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde 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

3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
CID 55225437
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde
CID 4767295
3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde
CID 43174566
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43366478
4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxybenzoic acid
CID 91683362
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde (CID 43174574) is 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde is CCOc1cccc(C=O)c1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde?
The InChIKey is WSJJYUDGSKZCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-2-19-15-8-4-6-13(10-18)16(15)20-11-12-5-3-7-14(17)9-12/h3-10H,2,11H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde?
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde has a molecular weight of 335.20 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde is sourced from PubChem (CID 43174574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).