benzaldehyde;2-(2-bromoethyl)naphthalene

C19H17BrO — CID 174551733

IUPACbenzaldehyde;2-(2-bromoethyl)naphthalene
SMILESBrCCc1ccc2ccccc2c1.O=Cc1ccccc1
InChIInChI=1S/C12H11Br.C7H6O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10;8-6-7-4-2-1-3-5-7/h1-6,9H,7-8H2;1-6H
InChIKeyYHYMBANXFMKTSI-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.28
Rot. Bonds3

About benzaldehyde;2-(2-bromoethyl)naphthalene

benzaldehyde;2-(2-bromoethyl)naphthalene (PubChem CID 174551733) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is benzaldehyde;2-(2-bromoethyl)naphthalene.

Molecular Properties

Compound Namebenzaldehyde;2-(2-bromoethyl)naphthalene
PubChem CID174551733
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Namebenzaldehyde;2-(2-bromoethyl)naphthalene
SMILESBrCCc1ccc2ccccc2c1.O=Cc1ccccc1
InChIInChI=1S/C12H11Br.C7H6O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10;8-6-7-4-2-1-3-5-7/h1-6,9H,7-8H2;1-6H
InChIKeyYHYMBANXFMKTSI-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;naphthalene;hydroiodide
CID 174808118
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
3-(naphthalen-2-ylmethylamino)benzaldehyde
CID 142658488
benzaldehyde;ethane
CID 54495732
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
2-benzylnaphthalene
CID 11948
2-(bromomethyl)naphthalene;hydrobromide
CID 158623865
benzaldehyde;ethane;propane
CID 91184446
benzaldehyde;formamide
CID 87258384
CID 57459119
CID 57459119
benzaldehyde;hydrate
CID 86741597
(E)-2-methyl-5-naphthalen-2-ylpent-2-enal
CID 10704370

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2-(2-bromoethyl)naphthalene?
The IUPAC name of benzaldehyde;2-(2-bromoethyl)naphthalene (CID 174551733) is benzaldehyde;2-(2-bromoethyl)naphthalene.
What is the SMILES notation for benzaldehyde;2-(2-bromoethyl)naphthalene?
The canonical SMILES for benzaldehyde;2-(2-bromoethyl)naphthalene is BrCCc1ccc2ccccc2c1.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;2-(2-bromoethyl)naphthalene?
The InChIKey is YHYMBANXFMKTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br.C7H6O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10;8-6-7-4-2-1-3-5-7/h1-6,9H,7-8H2;1-6H.
What are the key properties of benzaldehyde;2-(2-bromoethyl)naphthalene?
benzaldehyde;2-(2-bromoethyl)naphthalene has a molecular weight of 341.25 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;2-(2-bromoethyl)naphthalene is sourced from PubChem (CID 174551733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).