(4-chlorophenyl)-dibenzothiophen-3-ylmethanone

C19H11ClOS — CID 28719

IUPAC(4-chlorophenyl)-dibenzothiophen-3-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C19H11ClOS/c20-14-8-5-12(6-9-14)19(21)13-7-10-16-15-3-1-2-4-17(15)22-18(16)11-13/h1-11H
InChIKeyNEVBJBQRKYPRLB-UHFFFAOYSA-N
MW322.82 g/mol
LogP5.94
Rot. Bonds2

About (4-chlorophenyl)-dibenzothiophen-3-ylmethanone

(4-chlorophenyl)-dibenzothiophen-3-ylmethanone (PubChem CID 28719) has the molecular formula C19H11ClOS and a molecular weight of 322.82 g/mol. Its IUPAC name is (4-chlorophenyl)-dibenzothiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-dibenzothiophen-3-ylmethanone
PubChem CID28719
Molecular FormulaC19H11ClOS
Molecular Weight322.82 g/mol
Exact Mass322.02
IUPAC Name(4-chlorophenyl)-dibenzothiophen-3-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C19H11ClOS/c20-14-8-5-12(6-9-14)19(21)13-7-10-16-15-3-1-2-4-17(15)22-18(16)11-13/h1-11H
InChIKeyNEVBJBQRKYPRLB-UHFFFAOYSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.82
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-dibenzothiophen-3-ylmethanone?
The IUPAC name of (4-chlorophenyl)-dibenzothiophen-3-ylmethanone (CID 28719) is (4-chlorophenyl)-dibenzothiophen-3-ylmethanone.
What is the SMILES notation for (4-chlorophenyl)-dibenzothiophen-3-ylmethanone?
The canonical SMILES for (4-chlorophenyl)-dibenzothiophen-3-ylmethanone is O=C(c1ccc(Cl)cc1)c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of (4-chlorophenyl)-dibenzothiophen-3-ylmethanone?
The InChIKey is NEVBJBQRKYPRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClOS/c20-14-8-5-12(6-9-14)19(21)13-7-10-16-15-3-1-2-4-17(15)22-18(16)11-13/h1-11H.
What are the key properties of (4-chlorophenyl)-dibenzothiophen-3-ylmethanone?
(4-chlorophenyl)-dibenzothiophen-3-ylmethanone has a molecular weight of 322.82 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-dibenzothiophen-3-ylmethanone is sourced from PubChem (CID 28719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).