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

C15H13BrO3 — CID 1253349

IUPAC2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCc1ccccc1Br
InChIInChI=1S/C15H13BrO3/c1-18-14-8-4-6-11(9-17)15(14)19-10-12-5-2-3-7-13(12)16/h2-9H,10H2,1H3
InChIKeyZZHQDZRPCHPVKP-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.85
Rot. Bonds5

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

2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde (PubChem CID 1253349) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
PubChem CID1253349
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCc1ccccc1Br
InChIInChI=1S/C15H13BrO3/c1-18-14-8-4-6-11(9-17)15(14)19-10-12-5-2-3-7-13(12)16/h2-9H,10H2,1H3
InChIKeyZZHQDZRPCHPVKP-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde 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-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
(4Z)-4-[[2-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663955
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 598181
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
(4Z)-4-[[2-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 19669155
(4Z)-4-[[2-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668756
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde (CID 1253349) is 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde is COc1cccc(C=O)c1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is ZZHQDZRPCHPVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-18-14-8-4-6-11(9-17)15(14)19-10-12-5-2-3-7-13(12)16/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde?
2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 321.17 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 1253349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).