(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone

C16H11BrOS — CID 79596715

IUPAC(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(Br)c3ccccc23)s1
InChIInChI=1S/C16H11BrOS/c1-10-6-9-15(19-10)16(18)13-7-8-14(17)12-5-3-2-4-11(12)13/h2-9H,1H3
InChIKeyZQFXOYGBGCLRGW-UHFFFAOYSA-N
MW331.23 g/mol
LogP5.20
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone

(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 79596715) has the molecular formula C16H11BrOS and a molecular weight of 331.23 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID79596715
Molecular FormulaC16H11BrOS
Molecular Weight331.23 g/mol
Exact Mass329.97
IUPAC Name(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(Br)c3ccccc23)s1
InChIInChI=1S/C16H11BrOS/c1-10-6-9-15(19-10)16(18)13-7-8-14(17)12-5-3-2-4-11(12)13/h2-9H,1H3
InChIKeyZQFXOYGBGCLRGW-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

(4-bromonaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79802342
1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone
CID 114938943
ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 142970474
(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone
CID 79215169
(4-bromonaphthalen-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79593292
(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 28880620
(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
CID 79593276
(4-bromonaphthalene-1-carbonyl) 4-bromonaphthalene-1-carboxylate
CID 57234554
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301284
1-(4-bromonaphthalen-1-yl)prop-2-en-1-one
CID 103522544
(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
CID 80532446

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone (CID 79596715) is (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2ccc(Br)c3ccccc23)s1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is ZQFXOYGBGCLRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrOS/c1-10-6-9-15(19-10)16(18)13-7-8-14(17)12-5-3-2-4-11(12)13/h2-9H,1H3.
What are the key properties of (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone?
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-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 (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79596715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).