1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one

C19H15BrO — CID 114962828

IUPAC1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C19H15BrO/c20-18-10-9-15-12-17(8-7-16(15)13-18)19(21)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,6,11H2
InChIKeyJTJLOKFRHGODLE-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.42
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one

1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one (PubChem CID 114962828) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
PubChem CID114962828
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C19H15BrO/c20-18-10-9-15-12-17(8-7-16(15)13-18)19(21)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,6,11H2
InChIKeyJTJLOKFRHGODLE-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023893
1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
CID 24725587
1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one
CID 14452955
1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978147
CID 88938269
CID 88938269
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one
CID 155205410
1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-one
CID 114965038
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one (CID 114962828) is 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one?
The InChIKey is JTJLOKFRHGODLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c20-18-10-9-15-12-17(8-7-16(15)13-18)19(21)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,6,11H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one?
1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one has a molecular weight of 339.23 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 114962828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).