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

C16H8BrClO — CID 176795836

IUPAC11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
SMILESClc1ccc2ccc3oc4cccc(Br)c4c3c2c1
InChIInChI=1S/C16H8BrClO/c17-12-2-1-3-13-16(12)15-11-8-10(18)6-4-9(11)5-7-14(15)19-13/h1-8H
InChIKeyYGGUKOKJAYVNMO-UHFFFAOYSA-N
MW331.60 g/mol
LogP6.16
Rot. Bonds

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

11-bromo-2-chloronaphtho[2,1-b][1]benzofuran (PubChem CID 176795836) has the molecular formula C16H8BrClO and a molecular weight of 331.60 g/mol. Its IUPAC name is 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
PubChem CID176795836
Molecular FormulaC16H8BrClO
Molecular Weight331.60 g/mol
Exact Mass329.94
IUPAC Name11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
SMILESClc1ccc2ccc3oc4cccc(Br)c4c3c2c1
InChIInChI=1S/C16H8BrClO/c17-12-2-1-3-13-16(12)15-11-8-10(18)6-4-9(11)5-7-14(15)19-13/h1-8H
InChIKeyYGGUKOKJAYVNMO-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

4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
1,7-dibromodibenzofuran
CID 6427988
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran
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3,5-dichlorophenanthrene
CID 123462675
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
1-bromo-8-chloro-2,6-dideuteriodibenzofuran
CID 171457301
2,9-dichloro-[1]benzofuro[3,2-e][1,3]benzothiazole
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1-bromo-7-methyldibenzofuran
CID 142340676
11-bromo-8-chloronaphtho[2,1-b][1]benzofuran
CID 156553904
5-bromo-3-chloro-9H-carbazole
CID 156561509
2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 164934286

Frequently Asked Questions

What is the IUPAC name of 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran?
The IUPAC name of 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran (CID 176795836) is 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran is Clc1ccc2ccc3oc4cccc(Br)c4c3c2c1.
What is the InChIKey of 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran?
The InChIKey is YGGUKOKJAYVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClO/c17-12-2-1-3-13-16(12)15-11-8-10(18)6-4-9(11)5-7-14(15)19-13/h1-8H.
What are the key properties of 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran?
11-bromo-2-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 11-bromo-2-chloronaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 176795836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).