1,1'-biphenyl;propanoyl bromide

C15H15BrO — CID 175328868

IUPAC1,1'-biphenyl;propanoyl bromide
SMILESCCC(=O)Br.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H5BrO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H2,1H3
InChIKeyCZSQOZOWAJWVFD-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.67
Rot. Bonds2

About 1,1'-biphenyl;propanoyl bromide

1,1'-biphenyl;propanoyl bromide (PubChem CID 175328868) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1,1'-biphenyl;propanoyl bromide.

Molecular Properties

Compound Name1,1'-biphenyl;propanoyl bromide
PubChem CID175328868
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1,1'-biphenyl;propanoyl bromide
SMILESCCC(=O)Br.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H5BrO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H2,1H3
InChIKeyCZSQOZOWAJWVFD-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;propanamide
CID 155213147
1,1'-biphenyl;methanol;propane
CID 91033003
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
1,1'-biphenyl;heptadecan-9-one
CID 19613965
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
phenyltin(3+);propanoate
CID 157164859
ethane;4-phenylbenzoic acid;propane
CID 156791718
azane;1,1'-biphenyl;butane
CID 155168826
bis(1,1'-biphenyl);carbonate
CID 23514328
1-(4-phenylphenyl)pentan-3-one
CID 58444061

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;propanoyl bromide?
The IUPAC name of 1,1'-biphenyl;propanoyl bromide (CID 175328868) is 1,1'-biphenyl;propanoyl bromide.
What is the SMILES notation for 1,1'-biphenyl;propanoyl bromide?
The canonical SMILES for 1,1'-biphenyl;propanoyl bromide is CCC(=O)Br.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;propanoyl bromide?
The InChIKey is CZSQOZOWAJWVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H5BrO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H2,1H3.
What are the key properties of 1,1'-biphenyl;propanoyl bromide?
1,1'-biphenyl;propanoyl bromide has a molecular weight of 291.19 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;propanoyl bromide is sourced from PubChem (CID 175328868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).