1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one

C13H10BrClO — CID 14452955

IUPAC1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one
SMILESO=C(CCCl)c1ccc2ccc(Br)cc2c1
InChIInChI=1S/C13H10BrClO/c14-12-4-3-9-1-2-10(7-11(9)8-12)13(16)5-6-15/h1-4,7-8H,5-6H2
InChIKeyBHXOIXFALIYINP-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.41
Rot. Bonds3

About 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one

1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one (PubChem CID 14452955) has the molecular formula C13H10BrClO and a molecular weight of 297.58 g/mol. Its IUPAC name is 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one.

Molecular Properties

Compound Name1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one
PubChem CID14452955
Molecular FormulaC13H10BrClO
Molecular Weight297.58 g/mol
Exact Mass295.96
IUPAC Name1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one
SMILESO=C(CCCl)c1ccc2ccc(Br)cc2c1
InChIInChI=1S/C13H10BrClO/c14-12-4-3-9-1-2-10(7-11(9)8-12)13(16)5-6-15/h1-4,7-8H,5-6H2
InChIKeyBHXOIXFALIYINP-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(7-bromonaphthalen-2-yl)ethanone
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2-bromo-4-(3-chloropropanoyl)benzoyl chloride
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1,4-dinaphthalen-2-ylbutane-1,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one?
The IUPAC name of 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one (CID 14452955) is 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one.
What is the SMILES notation for 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one?
The canonical SMILES for 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one is O=C(CCCl)c1ccc2ccc(Br)cc2c1.
What is the InChIKey of 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one?
The InChIKey is BHXOIXFALIYINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO/c14-12-4-3-9-1-2-10(7-11(9)8-12)13(16)5-6-15/h1-4,7-8H,5-6H2.
What are the key properties of 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one?
1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one has a molecular weight of 297.58 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one is sourced from PubChem (CID 14452955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).