2-iodo-6H-indeno[2,1-b]chromen-11-one

C16H9IO2 — CID 10642241

IUPAC2-iodo-6H-indeno[2,1-b]chromen-11-one
SMILESO=c1c2c(oc3ccc(I)cc13)Cc1ccccc1-2
InChIInChI=1S/C16H9IO2/c17-10-5-6-13-12(8-10)16(18)15-11-4-2-1-3-9(11)7-14(15)19-13/h1-6,8H,7H2
InChIKeyWOCXLHZVPVXRCE-UHFFFAOYSA-N
MW360.15 g/mol
LogP3.97
Rot. Bonds

About 2-iodo-6H-indeno[2,1-b]chromen-11-one

2-iodo-6H-indeno[2,1-b]chromen-11-one (PubChem CID 10642241) has the molecular formula C16H9IO2 and a molecular weight of 360.15 g/mol. Its IUPAC name is 2-iodo-6H-indeno[2,1-b]chromen-11-one.

Molecular Properties

Compound Name2-iodo-6H-indeno[2,1-b]chromen-11-one
PubChem CID10642241
Molecular FormulaC16H9IO2
Molecular Weight360.15 g/mol
Exact Mass359.96
IUPAC Name2-iodo-6H-indeno[2,1-b]chromen-11-one
SMILESO=c1c2c(oc3ccc(I)cc13)Cc1ccccc1-2
InChIInChI=1S/C16H9IO2/c17-10-5-6-13-12(8-10)16(18)15-11-4-2-1-3-9(11)7-14(15)19-13/h1-6,8H,7H2
InChIKeyWOCXLHZVPVXRCE-UHFFFAOYSA-N
XLogP3.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6H-indeno[2,1-b]chromen-11-one
CID 10776931
9H-fluorene;3-iodo-9H-fluorene
CID 169429949
20-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-16-oxapentacyclo[13.7.0.02,7.08,13.017,22]docosa-1(15),2,4,6,8,10,12,17(22),18,20-decaene
CID 144703545
25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 161338365
9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium
CID 161102177
14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one
CID 146015026
7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
2-ethoxy-6-iodo-3-propylchromen-4-one
CID 23064267
9H-fluorene;oxophosphane
CID 174601741
[acetyloxy(phenyl)-λ3-iodanyl] acetate;9H-carbazole;2,7-diiodo-9H-xanthene;2,7-diiodoxanthen-9-one;molecular iodine;xanthen-9-one
CID 159276999
2-chloro-6-iodo-3-propylchromen-4-one
CID 23064263
32-oxaheptacyclo[20.11.0.02,7.09,14.015,20.025,33.026,31]tritriaconta-1(22),2,4,6,9,11,13,15,17,19,23,25(33),26,28,30-pentadecaene
CID 155110020

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6H-indeno[2,1-b]chromen-11-one?
The IUPAC name of 2-iodo-6H-indeno[2,1-b]chromen-11-one (CID 10642241) is 2-iodo-6H-indeno[2,1-b]chromen-11-one.
What is the SMILES notation for 2-iodo-6H-indeno[2,1-b]chromen-11-one?
The canonical SMILES for 2-iodo-6H-indeno[2,1-b]chromen-11-one is O=c1c2c(oc3ccc(I)cc13)Cc1ccccc1-2.
What is the InChIKey of 2-iodo-6H-indeno[2,1-b]chromen-11-one?
The InChIKey is WOCXLHZVPVXRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9IO2/c17-10-5-6-13-12(8-10)16(18)15-11-4-2-1-3-9(11)7-14(15)19-13/h1-6,8H,7H2.
What are the key properties of 2-iodo-6H-indeno[2,1-b]chromen-11-one?
2-iodo-6H-indeno[2,1-b]chromen-11-one has a molecular weight of 360.15 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6H-indeno[2,1-b]chromen-11-one is sourced from PubChem (CID 10642241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).