3-bromo-11-chloronaphtho[2,3-b][1]benzofuran

C16H8BrClO — CID 163787145

IUPAC3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
SMILESClc1c2ccccc2cc2oc3cc(Br)ccc3c12
InChIInChI=1S/C16H8BrClO/c17-10-5-6-12-13(8-10)19-14-7-9-3-1-2-4-11(9)16(18)15(12)14/h1-8H
InChIKeyMTNGXSNUORSTSL-UHFFFAOYSA-N
MW331.60 g/mol
LogP6.16
Rot. Bonds

About 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran

3-bromo-11-chloronaphtho[2,3-b][1]benzofuran (PubChem CID 163787145) has the molecular formula C16H8BrClO and a molecular weight of 331.60 g/mol. Its IUPAC name is 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
PubChem CID163787145
Molecular FormulaC16H8BrClO
Molecular Weight331.60 g/mol
Exact Mass329.94
IUPAC Name3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
SMILESClc1c2ccccc2cc2oc3cc(Br)ccc3c12
InChIInChI=1S/C16H8BrClO/c17-10-5-6-12-13(8-10)19-14-7-9-3-1-2-4-11(9)16(18)15(12)14/h1-8H
InChIKeyMTNGXSNUORSTSL-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

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
3-bromoanthra[2,1-b][1]benzofuran
CID 89117267
5,9-dibromonaphtho[2,1-b][1]benzofuran
CID 90263899
7-bromo-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155318564
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
1,7-dibromodibenzofuran
CID 6427988
2-bromo-9-chlorobenzo[f][1]benzofuran
CID 176753820
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
11-bromo-1-(2-chlorophenyl)naphtho[2,3-b][1]benzofuran
CID 163932137
9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289
(2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone
CID 102584637
18-bromo-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186602

Frequently Asked Questions

What is the IUPAC name of 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran (CID 163787145) is 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran is Clc1c2ccccc2cc2oc3cc(Br)ccc3c12.
What is the InChIKey of 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran?
The InChIKey is MTNGXSNUORSTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClO/c17-10-5-6-12-13(8-10)19-14-7-9-3-1-2-4-11(9)16(18)15(12)14/h1-8H.
What are the key properties of 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran?
3-bromo-11-chloronaphtho[2,3-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 3-bromo-11-chloronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 163787145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).