1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one

C19H15BrO — CID 63409309

IUPAC1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1cccc2ccccc12
InChIInChI=1S/C19H15BrO/c20-17-9-3-5-14(11-17)12-18(21)13-16-8-4-7-15-6-1-2-10-19(15)16/h1-11H,12-13H2
InChIKeyZCBWEMUNTXMKAN-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.96
Rot. Bonds4

About 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one

1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one (PubChem CID 63409309) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
PubChem CID63409309
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1cccc2ccccc12
InChIInChI=1S/C19H15BrO/c20-17-9-3-5-14(11-17)12-18(21)13-16-8-4-7-15-6-1-2-10-19(15)16/h1-11H,12-13H2
InChIKeyZCBWEMUNTXMKAN-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 105092415
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
2-(3-bromophenyl)acetate
CID 3608673
1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one
CID 65141916
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
1-naphthalen-1-ylbutan-2-one
CID 4564544

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one (CID 63409309) is 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one is O=C(Cc1cccc(Br)c1)Cc1cccc2ccccc12.
What is the InChIKey of 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one?
The InChIKey is ZCBWEMUNTXMKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c20-17-9-3-5-14(11-17)12-18(21)13-16-8-4-7-15-6-1-2-10-19(15)16/h1-11H,12-13H2.
What are the key properties of 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one?
1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one has a molecular weight of 339.23 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one is sourced from PubChem (CID 63409309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).