8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one

C19H13IO2 — CID 24805831

IUPAC8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1CC(c2ccccc2)c2c(ccc3cc(I)ccc23)O1
InChIInChI=1S/C19H13IO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2
InChIKeyXZVXPALQXOBYFD-UHFFFAOYSA-N
MW400.22 g/mol
LogP4.89
Rot. Bonds1

About 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one

8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 24805831) has the molecular formula C19H13IO2 and a molecular weight of 400.22 g/mol. Its IUPAC name is 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
PubChem CID24805831
Molecular FormulaC19H13IO2
Molecular Weight400.22 g/mol
Exact Mass400.00
IUPAC Name8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1CC(c2ccccc2)c2c(ccc3cc(I)ccc23)O1
InChIInChI=1S/C19H13IO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2
InChIKeyXZVXPALQXOBYFD-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
CID 24807051
3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide
CID 24805828
(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
CID 99991049
10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one
CID 132851249
(9R)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991709
(9S)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991705
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750
(4R)-6-benzoyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-3,4-dihydrochromen-2-one
CID 124880025
(4S)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-3,4-dihydrochromen-2-one
CID 6540066
(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206822
tert-butyl [2-(3-iodophenyl)-19-[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-7-yl] carbonate;2-(3-iodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 163726075

Frequently Asked Questions

What is the IUPAC name of 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one (CID 24805831) is 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one is O=C1CC(c2ccccc2)c2c(ccc3cc(I)ccc23)O1.
What is the InChIKey of 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is XZVXPALQXOBYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2.
What are the key properties of 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 400.22 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 24805831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).