(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone

C16H11BrOS — CID 107960064

IUPAC(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2csc(Br)c2)c2ccccc12
InChIInChI=1S/C16H11BrOS/c1-10-6-7-14(13-5-3-2-4-12(10)13)16(18)11-8-15(17)19-9-11/h2-9H,1H3
InChIKeyRJWJVBSWFVWUCL-UHFFFAOYSA-N
MW331.23 g/mol
LogP5.20
Rot. Bonds2

About (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone

(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone (PubChem CID 107960064) has the molecular formula C16H11BrOS and a molecular weight of 331.23 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
PubChem CID107960064
Molecular FormulaC16H11BrOS
Molecular Weight331.23 g/mol
Exact Mass329.97
IUPAC Name(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2csc(Br)c2)c2ccccc12
InChIInChI=1S/C16H11BrOS/c1-10-6-7-14(13-5-3-2-4-12(10)13)16(18)11-8-15(17)19-9-11/h2-9H,1H3
InChIKeyRJWJVBSWFVWUCL-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.23
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
CID 107966500
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
CID 105081417
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
CID 107959895
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 114021021
(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79803418
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 39134325

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone (CID 107960064) is (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone is Cc1ccc(C(=O)c2csc(Br)c2)c2ccccc12.
What is the InChIKey of (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is RJWJVBSWFVWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrOS/c1-10-6-7-14(13-5-3-2-4-12(10)13)16(18)11-8-15(17)19-9-11/h2-9H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone?
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 331.23 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 107960064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).