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

C16H8BrClO — CID 176844288

IUPAC6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
SMILESClc1cccc2oc3c(Br)cc4ccccc4c3c12
InChIInChI=1S/C16H8BrClO/c17-11-8-9-4-1-2-5-10(9)14-15-12(18)6-3-7-13(15)19-16(11)14/h1-8H
InChIKeyPALKVVCVVJQGBV-UHFFFAOYSA-N
MW331.60 g/mol
LogP6.16
Rot. Bonds

About 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran

6-bromo-11-chloronaphtho[2,1-b][1]benzofuran (PubChem CID 176844288) has the molecular formula C16H8BrClO and a molecular weight of 331.60 g/mol. Its IUPAC name is 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
PubChem CID176844288
Molecular FormulaC16H8BrClO
Molecular Weight331.60 g/mol
Exact Mass329.94
IUPAC Name6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
SMILESClc1cccc2oc3c(Br)cc4ccccc4c3c12
InChIInChI=1S/C16H8BrClO/c17-11-8-9-4-1-2-5-10(9)14-15-12(18)6-3-7-13(15)19-16(11)14/h1-8H
InChIKeyPALKVVCVVJQGBV-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

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
8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 167424257
9-bromo-1-chloroanthracene
CID 165359177
11-bromo-8-chloronaphtho[2,1-b][1]benzofuran
CID 156553904
6-bromo-[1]benzofuro[2,3-h]isoquinoline
CID 164837106
11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran
CID 163932137
20-bromo-3-chloro-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155484512
1-bromonaphthalene;1-chloronaphthalene
CID 158194797
16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 146441792
8-chloro-3-phenylnaphtho[2,1-b][1]benzofuran
CID 155335388
7-chloro-5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran
CID 167440876
3-bromo-2-chlorophenanthrene
CID 166845355

Frequently Asked Questions

What is the IUPAC name of 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran?
The IUPAC name of 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran (CID 176844288) is 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran is Clc1cccc2oc3c(Br)cc4ccccc4c3c12.
What is the InChIKey of 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran?
The InChIKey is PALKVVCVVJQGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClO/c17-11-8-9-4-1-2-5-10(9)14-15-12(18)6-3-7-13(15)19-16(11)14/h1-8H.
What are the key properties of 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran?
6-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 6-bromo-11-chloronaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 176844288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).