1-bromo-2-phenylbenzene;propanal

C15H15BrO — CID 175328871

IUPAC1-bromo-2-phenylbenzene;propanal
SMILESBrc1ccccc1-c1ccccc1.CCC=O
InChIInChI=1S/C12H9Br.C3H6O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-3-4/h1-9H;3H,2H2,1H3
InChIKeyPHRRJSAQMOQEAI-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.71
Rot. Bonds2

About 1-bromo-2-phenylbenzene;propanal

1-bromo-2-phenylbenzene;propanal (PubChem CID 175328871) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-bromo-2-phenylbenzene;propanal.

Molecular Properties

Compound Name1-bromo-2-phenylbenzene;propanal
PubChem CID175328871
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-bromo-2-phenylbenzene;propanal
SMILESBrc1ccccc1-c1ccccc1.CCC=O
InChIInChI=1S/C12H9Br.C3H6O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-3-4/h1-9H;3H,2H2,1H3
InChIKeyPHRRJSAQMOQEAI-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenylbenzene;propanal?
The IUPAC name of 1-bromo-2-phenylbenzene;propanal (CID 175328871) is 1-bromo-2-phenylbenzene;propanal.
What is the SMILES notation for 1-bromo-2-phenylbenzene;propanal?
The canonical SMILES for 1-bromo-2-phenylbenzene;propanal is Brc1ccccc1-c1ccccc1.CCC=O.
What is the InChIKey of 1-bromo-2-phenylbenzene;propanal?
The InChIKey is PHRRJSAQMOQEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br.C3H6O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-3-4/h1-9H;3H,2H2,1H3.
What are the key properties of 1-bromo-2-phenylbenzene;propanal?
1-bromo-2-phenylbenzene;propanal has a molecular weight of 291.19 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenylbenzene;propanal is sourced from PubChem (CID 175328871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).