(2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone

C23H12BrClO2 — CID 102584637

IUPAC(2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc2ccc(Br)cc2c2c1oc1ccccc12
InChIInChI=1S/C23H12BrClO2/c24-15-8-5-14-11-19(22(26)13-6-9-16(25)10-7-13)23-21(18(14)12-15)17-3-1-2-4-20(17)27-23/h1-12H
InChIKeyQJGZGEMNUFTFJZ-UHFFFAOYSA-N
MW435.70 g/mol
LogP7.39
Rot. Bonds2

About (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone

(2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone (PubChem CID 102584637) has the molecular formula C23H12BrClO2 and a molecular weight of 435.70 g/mol. Its IUPAC name is (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone
PubChem CID102584637
Molecular FormulaC23H12BrClO2
Molecular Weight435.70 g/mol
Exact Mass433.97
IUPAC Name(2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc2ccc(Br)cc2c2c1oc1ccccc12
InChIInChI=1S/C23H12BrClO2/c24-15-8-5-14-11-19(22(26)13-6-9-16(25)10-7-13)23-21(18(14)12-15)17-3-1-2-4-20(17)27-23/h1-12H
InChIKeyQJGZGEMNUFTFJZ-UHFFFAOYSA-N
XLogP7.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone (CID 102584637) is (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cc2ccc(Br)cc2c2c1oc1ccccc12.
What is the InChIKey of (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone?
The InChIKey is QJGZGEMNUFTFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12BrClO2/c24-15-8-5-14-11-19(22(26)13-6-9-16(25)10-7-13)23-21(18(14)12-15)17-3-1-2-4-20(17)27-23/h1-12H.
What are the key properties of (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone?
(2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone has a molecular weight of 435.70 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 102584637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).