8-bromonaphtho[2,3-b][1]benzofuran

C16H9BrO — CID 154948063

IUPAC8-bromonaphtho[2,3-b][1]benzofuran
SMILESBrc1ccc2cc3c(cc2c1)oc1ccccc13
InChIInChI=1S/C16H9BrO/c17-12-6-5-10-8-14-13-3-1-2-4-15(13)18-16(14)9-11(10)7-12/h1-9H
InChIKeyIFDLACDBSGDUGW-UHFFFAOYSA-N
MW297.15 g/mol
LogP5.50
Rot. Bonds

About 8-bromonaphtho[2,3-b][1]benzofuran

8-bromonaphtho[2,3-b][1]benzofuran (PubChem CID 154948063) has the molecular formula C16H9BrO and a molecular weight of 297.15 g/mol. Its IUPAC name is 8-bromonaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name8-bromonaphtho[2,3-b][1]benzofuran
PubChem CID154948063
Molecular FormulaC16H9BrO
Molecular Weight297.15 g/mol
Exact Mass295.98
IUPAC Name8-bromonaphtho[2,3-b][1]benzofuran
SMILESBrc1ccc2cc3c(cc2c1)oc1ccccc13
InChIInChI=1S/C16H9BrO/c17-12-6-5-10-8-14-13-3-1-2-4-15(13)18-16(14)9-11(10)7-12/h1-9H
InChIKeyIFDLACDBSGDUGW-UHFFFAOYSA-N
XLogP5.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.15
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
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
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
9-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787408
2-bromodibenzofuran;naphthalen-2-amine
CID 175083033
7-tert-butyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153211
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
3-(3-bromophenyl)naphtho[2,3-b][1]benzofuran
CID 90433350
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
18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-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 130185542

Frequently Asked Questions

What is the IUPAC name of 8-bromonaphtho[2,3-b][1]benzofuran?
The IUPAC name of 8-bromonaphtho[2,3-b][1]benzofuran (CID 154948063) is 8-bromonaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 8-bromonaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 8-bromonaphtho[2,3-b][1]benzofuran is Brc1ccc2cc3c(cc2c1)oc1ccccc13.
What is the InChIKey of 8-bromonaphtho[2,3-b][1]benzofuran?
The InChIKey is IFDLACDBSGDUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrO/c17-12-6-5-10-8-14-13-3-1-2-4-15(13)18-16(14)9-11(10)7-12/h1-9H.
What are the key properties of 8-bromonaphtho[2,3-b][1]benzofuran?
8-bromonaphtho[2,3-b][1]benzofuran has a molecular weight of 297.15 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromonaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 154948063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).