2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde

C15H13BrO3 — CID 58990542

IUPAC2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2ccc(Br)c(C=O)c2)cc1
InChIInChI=1S/C15H13BrO3/c1-18-13-4-2-11(3-5-13)10-19-14-6-7-15(16)12(8-14)9-17/h2-9H,10H2,1H3
InChIKeyUATIKWRZKOCDID-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.85
Rot. Bonds5

About 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde

2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 58990542) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
PubChem CID58990542
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2ccc(Br)c(C=O)c2)cc1
InChIInChI=1S/C15H13BrO3/c1-18-13-4-2-11(3-5-13)10-19-14-6-7-15(16)12(8-14)9-17/h2-9H,10H2,1H3
InChIKeyUATIKWRZKOCDID-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

2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403669
2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 118663690
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167309589
2-bromo-5-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
CID 81494161
2-bromo-5-(3-ethylsulfanylpropoxy)benzaldehyde
CID 115741679
2-[4-[(4-bromo-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 20986298
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde (CID 58990542) is 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2ccc(Br)c(C=O)c2)cc1.
What is the InChIKey of 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is UATIKWRZKOCDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-18-13-4-2-11(3-5-13)10-19-14-6-7-15(16)12(8-14)9-17/h2-9H,10H2,1H3.
What are the key properties of 2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde?
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde 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-5-[(4-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 58990542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).