2-(7-bromoheptyl)benzaldehyde

C14H19BrO — CID 15617526

IUPAC2-(7-bromoheptyl)benzaldehyde
SMILESO=Cc1ccccc1CCCCCCCBr
InChIInChI=1S/C14H19BrO/c15-11-7-3-1-2-4-8-13-9-5-6-10-14(13)12-16/h5-6,9-10,12H,1-4,7-8,11H2
InChIKeyCNFOOKMIAFAHCF-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.39
Rot. Bonds8

About 2-(7-bromoheptyl)benzaldehyde

2-(7-bromoheptyl)benzaldehyde (PubChem CID 15617526) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(7-bromoheptyl)benzaldehyde.

Molecular Properties

Compound Name2-(7-bromoheptyl)benzaldehyde
PubChem CID15617526
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name2-(7-bromoheptyl)benzaldehyde
SMILESO=Cc1ccccc1CCCCCCCBr
InChIInChI=1S/C14H19BrO/c15-11-7-3-1-2-4-8-13-9-5-6-10-14(13)12-16/h5-6,9-10,12H,1-4,7-8,11H2
InChIKeyCNFOOKMIAFAHCF-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(7-bromoheptyl)-2-ethenylbenzene
CID 22468213
2-[4-(4-butylphenyl)butyl]benzaldehyde
CID 19847933
2-butylbenzaldehyde;terephthalaldehyde
CID 174801051
2-butylbenzaldehyde;1-butyl-2-methylbenzene
CID 88505905
1-(8-bromooctyl)-2-butylbenzene
CID 18786581
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455
2-(3-phenylsulfanylpropyl)benzaldehyde
CID 164781654
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565
2,3-dioctylbenzaldehyde
CID 175319778
1-(12-bromododecyl)-2-(2-bromopropan-2-yl)benzene
CID 168867161
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromoheptyl)benzaldehyde?
The IUPAC name of 2-(7-bromoheptyl)benzaldehyde (CID 15617526) is 2-(7-bromoheptyl)benzaldehyde.
What is the SMILES notation for 2-(7-bromoheptyl)benzaldehyde?
The canonical SMILES for 2-(7-bromoheptyl)benzaldehyde is O=Cc1ccccc1CCCCCCCBr.
What is the InChIKey of 2-(7-bromoheptyl)benzaldehyde?
The InChIKey is CNFOOKMIAFAHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-11-7-3-1-2-4-8-13-9-5-6-10-14(13)12-16/h5-6,9-10,12H,1-4,7-8,11H2.
What are the key properties of 2-(7-bromoheptyl)benzaldehyde?
2-(7-bromoheptyl)benzaldehyde has a molecular weight of 283.21 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromoheptyl)benzaldehyde is sourced from PubChem (CID 15617526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).