1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one

C17H13BrOS — CID 105092415

IUPAC1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
SMILESO=C(Cc1cc(Br)cs1)Cc1cccc2ccccc12
InChIInChI=1S/C17H13BrOS/c18-14-9-16(20-11-14)10-15(19)8-13-6-3-5-12-4-1-2-7-17(12)13/h1-7,9,11H,8,10H2
InChIKeyQILZBTRHMILPCV-UHFFFAOYSA-N
MW345.26 g/mol
LogP5.02
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one

1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one (PubChem CID 105092415) has the molecular formula C17H13BrOS and a molecular weight of 345.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
PubChem CID105092415
Molecular FormulaC17H13BrOS
Molecular Weight345.26 g/mol
Exact Mass343.99
IUPAC Name1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
SMILESO=C(Cc1cc(Br)cs1)Cc1cccc2ccccc12
InChIInChI=1S/C17H13BrOS/c18-14-9-16(20-11-14)10-15(19)8-13-6-3-5-12-4-1-2-7-17(12)13/h1-7,9,11H,8,10H2
InChIKeyQILZBTRHMILPCV-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.26
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804
1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
CID 63409309
1-(3-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 105092784
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
CID 105139176
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
1-(4-bromothiophen-2-yl)pent-4-en-2-one
CID 116659507
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
1-naphthalen-1-ylbutan-2-one
CID 4564544
1-(4-bromothiophen-2-yl)-3-pyridin-3-ylpropan-2-one
CID 62621207
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
CID 105101445
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one (CID 105092415) is 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one is O=C(Cc1cc(Br)cs1)Cc1cccc2ccccc12.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one?
The InChIKey is QILZBTRHMILPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrOS/c18-14-9-16(20-11-14)10-15(19)8-13-6-3-5-12-4-1-2-7-17(12)13/h1-7,9,11H,8,10H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one?
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one has a molecular weight of 345.26 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one is sourced from PubChem (CID 105092415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).