1-iodonaphtho[2,3-b][1]benzofuran-2-ol

C16H9IO2 — CID 147872785

IUPAC1-iodonaphtho[2,3-b][1]benzofuran-2-ol
SMILESOc1ccc2oc3cc4ccccc4cc3c2c1I
InChIInChI=1S/C16H9IO2/c17-16-12(18)5-6-13-15(16)11-7-9-3-1-2-4-10(9)8-14(11)19-13/h1-8,18H
InChIKeyHYXWWXSXDITMGW-UHFFFAOYSA-N
MW360.15 g/mol
LogP5.05
Rot. Bonds

About 1-iodonaphtho[2,3-b][1]benzofuran-2-ol

1-iodonaphtho[2,3-b][1]benzofuran-2-ol (PubChem CID 147872785) has the molecular formula C16H9IO2 and a molecular weight of 360.15 g/mol. Its IUPAC name is 1-iodonaphtho[2,3-b][1]benzofuran-2-ol.

Molecular Properties

Compound Name1-iodonaphtho[2,3-b][1]benzofuran-2-ol
PubChem CID147872785
Molecular FormulaC16H9IO2
Molecular Weight360.15 g/mol
Exact Mass359.96
IUPAC Name1-iodonaphtho[2,3-b][1]benzofuran-2-ol
SMILESOc1ccc2oc3cc4ccccc4cc3c2c1I
InChIInChI=1S/C16H9IO2/c17-16-12(18)5-6-13-15(16)11-7-9-3-1-2-4-10(9)8-14(11)19-13/h1-8,18H
InChIKeyHYXWWXSXDITMGW-UHFFFAOYSA-N
XLogP5.05
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.15
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-iodonaphtho[2,3-b][1]benzofuran-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2,16-dimethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 126657797
13-oxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-2-thione
CID 12588753
1-iodonaphthalen-2-ol
CID 16250
14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol
CID 144582613
benzo[f][1]benzofuran-3-ol
CID 54429171
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
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-naphtho[2,3-b][1]benzofuran-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 158025600
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol
CID 123457192
anthra[2,1-b][1]benzofuran
CID 59403890

Frequently Asked Questions

What is the IUPAC name of 1-iodonaphtho[2,3-b][1]benzofuran-2-ol?
The IUPAC name of 1-iodonaphtho[2,3-b][1]benzofuran-2-ol (CID 147872785) is 1-iodonaphtho[2,3-b][1]benzofuran-2-ol.
What is the SMILES notation for 1-iodonaphtho[2,3-b][1]benzofuran-2-ol?
The canonical SMILES for 1-iodonaphtho[2,3-b][1]benzofuran-2-ol is Oc1ccc2oc3cc4ccccc4cc3c2c1I.
What is the InChIKey of 1-iodonaphtho[2,3-b][1]benzofuran-2-ol?
The InChIKey is HYXWWXSXDITMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9IO2/c17-16-12(18)5-6-13-15(16)11-7-9-3-1-2-4-10(9)8-14(11)19-13/h1-8,18H.
What are the key properties of 1-iodonaphtho[2,3-b][1]benzofuran-2-ol?
1-iodonaphtho[2,3-b][1]benzofuran-2-ol has a molecular weight of 360.15 g/mol, XLogP of 5.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodonaphtho[2,3-b][1]benzofuran-2-ol is sourced from PubChem (CID 147872785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).