8-bromo-11-chloronaphtho[2,1-b][1]benzofuran

C16H8BrClO — CID 167424257

IUPAC8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
SMILESClc1ccc(Br)c2oc3ccc4ccccc4c3c12
InChIInChI=1S/C16H8BrClO/c17-11-6-7-12(18)15-14-10-4-2-1-3-9(10)5-8-13(14)19-16(11)15/h1-8H
InChIKeyDCAQFTZKZQAHNJ-UHFFFAOYSA-N
MW331.60 g/mol
LogP6.16
Rot. Bonds

About 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran

8-bromo-11-chloronaphtho[2,1-b][1]benzofuran (PubChem CID 167424257) has the molecular formula C16H8BrClO and a molecular weight of 331.60 g/mol. Its IUPAC name is 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
PubChem CID167424257
Molecular FormulaC16H8BrClO
Molecular Weight331.60 g/mol
Exact Mass329.94
IUPAC Name8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
SMILESClc1ccc(Br)c2oc3ccc4ccccc4c3c12
InChIInChI=1S/C16H8BrClO/c17-11-6-7-12(18)15-14-10-4-2-1-3-9(10)5-8-13(14)19-16(11)15/h1-8H
InChIKeyDCAQFTZKZQAHNJ-UHFFFAOYSA-N
XLogP6.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.60
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-bromo-8-chloronaphtho[2,1-b][1]benzofuran
CID 156553904
16-oxaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 118131021
6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
9-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166918306
9-bromo-14-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 155763695
1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene
CID 159979643
1-(2-bromophenyl)benzo[e][1]benzofuran
CID 12028023
15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 118551545
3-(2,6-dichlorophenyl)benzo[f]chromen-1-one
CID 56833936
1-bromonaphthalene;1-chloronaphthalene
CID 158194797
12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;tungsten
CID 58591990
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847

Frequently Asked Questions

What is the IUPAC name of 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran?
The IUPAC name of 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran (CID 167424257) is 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran is Clc1ccc(Br)c2oc3ccc4ccccc4c3c12.
What is the InChIKey of 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran?
The InChIKey is DCAQFTZKZQAHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClO/c17-11-6-7-12(18)15-14-10-4-2-1-3-9(10)5-8-13(14)19-16(11)15/h1-8H.
What are the key properties of 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran?
8-bromo-11-chloronaphtho[2,1-b][1]benzofuran has a molecular weight of 331.60 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-11-chloronaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 167424257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).