5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde

C15H9BrO2 — CID 169331923

IUPAC5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3c(Br)cccc23)o1
InChIInChI=1S/C15H9BrO2/c16-14-6-2-3-11-12(14)4-1-5-13(11)15-8-7-10(9-17)18-15/h1-9H
InChIKeyLMJZSMULODIPOE-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.67
Rot. Bonds2

About 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde

5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde (PubChem CID 169331923) has the molecular formula C15H9BrO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
PubChem CID169331923
Molecular FormulaC15H9BrO2
Molecular Weight301.14 g/mol
Exact Mass299.98
IUPAC Name5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3c(Br)cccc23)o1
InChIInChI=1S/C15H9BrO2/c16-14-6-2-3-11-12(14)4-1-5-13(11)15-8-7-10(9-17)18-15/h1-9H
InChIKeyLMJZSMULODIPOE-UHFFFAOYSA-N
XLogP4.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-dibenzofuran-1-ylfuran-2-carbaldehyde
CID 169332087
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-(4-bromothiophen-3-yl)furan-2-carbaldehyde
CID 106886524
5-(4-bromo-2-methoxy-3-methylphenyl)furan-2-carbaldehyde
CID 169333130
5-quinazolin-5-ylfuran-2-carbaldehyde
CID 169335692
5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169334326
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
5-(1H-indol-3-yl)furan-2-carbaldehyde
CID 21084536
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde (CID 169331923) is 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2cccc3c(Br)cccc23)o1.
What is the InChIKey of 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde?
The InChIKey is LMJZSMULODIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO2/c16-14-6-2-3-11-12(14)4-1-5-13(11)15-8-7-10(9-17)18-15/h1-9H.
What are the key properties of 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde?
5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde has a molecular weight of 301.14 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169331923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).