(3-bromophenyl)-dibenzothiophen-2-ylmethanone

C19H11BrOS — CID 3062521

IUPAC(3-bromophenyl)-dibenzothiophen-2-ylmethanone
SMILESO=C(c1cccc(Br)c1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C19H11BrOS/c20-14-5-3-4-12(10-14)19(21)13-8-9-18-16(11-13)15-6-1-2-7-17(15)22-18/h1-11H
InChIKeyIYLICEZWYRGHDE-UHFFFAOYSA-N
MW367.27 g/mol
LogP6.05
Rot. Bonds2

About (3-bromophenyl)-dibenzothiophen-2-ylmethanone

(3-bromophenyl)-dibenzothiophen-2-ylmethanone (PubChem CID 3062521) has the molecular formula C19H11BrOS and a molecular weight of 367.27 g/mol. Its IUPAC name is (3-bromophenyl)-dibenzothiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-bromophenyl)-dibenzothiophen-2-ylmethanone
PubChem CID3062521
Molecular FormulaC19H11BrOS
Molecular Weight367.27 g/mol
Exact Mass365.97
IUPAC Name(3-bromophenyl)-dibenzothiophen-2-ylmethanone
SMILESO=C(c1cccc(Br)c1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C19H11BrOS/c20-14-5-3-4-12(10-14)19(21)13-8-9-18-16(11-13)15-6-1-2-7-17(15)22-18/h1-11H
InChIKeyIYLICEZWYRGHDE-UHFFFAOYSA-N
XLogP6.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.27
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-dibenzothiophen-2-ylmethanone?
The IUPAC name of (3-bromophenyl)-dibenzothiophen-2-ylmethanone (CID 3062521) is (3-bromophenyl)-dibenzothiophen-2-ylmethanone.
What is the SMILES notation for (3-bromophenyl)-dibenzothiophen-2-ylmethanone?
The canonical SMILES for (3-bromophenyl)-dibenzothiophen-2-ylmethanone is O=C(c1cccc(Br)c1)c1ccc2sc3ccccc3c2c1.
What is the InChIKey of (3-bromophenyl)-dibenzothiophen-2-ylmethanone?
The InChIKey is IYLICEZWYRGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrOS/c20-14-5-3-4-12(10-14)19(21)13-8-9-18-16(11-13)15-6-1-2-7-17(15)22-18/h1-11H.
What are the key properties of (3-bromophenyl)-dibenzothiophen-2-ylmethanone?
(3-bromophenyl)-dibenzothiophen-2-ylmethanone has a molecular weight of 367.27 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-dibenzothiophen-2-ylmethanone is sourced from PubChem (CID 3062521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).