5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde

C14H13BrO2 — CID 50880518

IUPAC5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde
SMILESCCc1cc(-c2ccc(C=O)o2)cc(C)c1Br
InChIInChI=1S/C14H13BrO2/c1-3-10-7-11(6-9(2)14(10)15)13-5-4-12(8-16)17-13/h4-8H,3H2,1-2H3
InChIKeyFFHNPCZHMAKQHQ-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.39
Rot. Bonds3

About 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde

5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde (PubChem CID 50880518) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde
PubChem CID50880518
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde
SMILESCCc1cc(-c2ccc(C=O)o2)cc(C)c1Br
InChIInChI=1S/C14H13BrO2/c1-3-10-7-11(6-9(2)14(10)15)13-5-4-12(8-16)17-13/h4-8H,3H2,1-2H3
InChIKeyFFHNPCZHMAKQHQ-UHFFFAOYSA-N
XLogP4.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.39
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-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
CID 169333111
5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide
CID 50880654
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde (CID 50880518) is 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde is CCc1cc(-c2ccc(C=O)o2)cc(C)c1Br.
What is the InChIKey of 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde?
The InChIKey is FFHNPCZHMAKQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-3-10-7-11(6-9(2)14(10)15)13-5-4-12(8-16)17-13/h4-8H,3H2,1-2H3.
What are the key properties of 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde?
5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde has a molecular weight of 293.16 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 50880518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).