(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone

C16H10Br2OS — CID 107960063

IUPAC(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2cc(Br)sc2Br)c2ccccc12
InChIInChI=1S/C16H10Br2OS/c1-9-6-7-12(11-5-3-2-4-10(9)11)15(19)13-8-14(17)20-16(13)18/h2-8H,1H3
InChIKeyCDUPKKWKUIQOBY-UHFFFAOYSA-N
MW410.13 g/mol
LogP5.97
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone

(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone (PubChem CID 107960063) has the molecular formula C16H10Br2OS and a molecular weight of 410.13 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
PubChem CID107960063
Molecular FormulaC16H10Br2OS
Molecular Weight410.13 g/mol
Exact Mass407.88
IUPAC Name(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2cc(Br)sc2Br)c2ccccc12
InChIInChI=1S/C16H10Br2OS/c1-9-6-7-12(11-5-3-2-4-10(9)11)15(19)13-8-14(17)20-16(13)18/h2-8H,1H3
InChIKeyCDUPKKWKUIQOBY-UHFFFAOYSA-N
XLogP5.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.13
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone (CID 107960063) is (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone is Cc1ccc(C(=O)c2cc(Br)sc2Br)c2ccccc12.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is CDUPKKWKUIQOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2OS/c1-9-6-7-12(11-5-3-2-4-10(9)11)15(19)13-8-14(17)20-16(13)18/h2-8H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone?
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 410.13 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 107960063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).