2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde

C15H13BrO3 — CID 3569314

IUPAC2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde
SMILESCOc1ccc(C=O)c(Br)c1OCc1ccccc1
InChIInChI=1S/C15H13BrO3/c1-18-13-8-7-12(9-17)14(16)15(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyWYPLBZRAXZYRIN-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.85
Rot. Bonds5

About 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde

2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde (PubChem CID 3569314) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde
PubChem CID3569314
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde
SMILESCOc1ccc(C=O)c(Br)c1OCc1ccccc1
InChIInChI=1S/C15H13BrO3/c1-18-13-8-7-12(9-17)14(16)15(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyWYPLBZRAXZYRIN-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'}

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Related Compounds

4-Ethoxy-3-methoxybenzaldehyde
CID 67116
5-Bromovanillin
CID 18099
2-Bromo-5-hydroxy-4-methoxybenzaldehyde
CID 616068
3,4-Diethoxybenzaldehyde
CID 74847
2-Bromoisovanillin
CID 224011
4-(Hexyloxy)-m-anisaldehyde
CID 1563362
4-(Allyloxy)-3-methoxybenzaldehyde
CID 2063823
4-(Benzyloxy)-3-methoxybenzaldehyde
CID 75506
6-Bromo-3,4-dimethoxybenzaldehyde
CID 79351
3,4-Bis(benzyloxy)benzaldehyde
CID 79526
3-Benzyloxy-4-methoxybenzaldehyde
CID 80671
3-Bromo-4,5-dimethoxybenzaldehyde
CID 81379

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde?
The IUPAC name of 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde (CID 3569314) is 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde is COc1ccc(C=O)c(Br)c1OCc1ccccc1.
What is the InChIKey of 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde?
The InChIKey is WYPLBZRAXZYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-18-13-8-7-12(9-17)14(16)15(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde?
2-bromo-4-methoxy-3-phenylmethoxybenzaldehyde 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-bromo-4-methoxy-3-phenylmethoxybenzaldehyde is sourced from PubChem (CID 3569314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).