7-hydroxy-8-iodo-3-phenylchromen-2-one

C15H9IO3 — CID 12695316

IUPAC7-hydroxy-8-iodo-3-phenylchromen-2-one
SMILESO=c1oc2c(I)c(O)ccc2cc1-c1ccccc1
InChIInChI=1S/C15H9IO3/c16-13-12(17)7-6-10-8-11(15(18)19-14(10)13)9-4-2-1-3-5-9/h1-8,17H
InChIKeyWMUKYEDKKSDEAA-UHFFFAOYSA-N
MW364.14 g/mol
LogP3.77
Rot. Bonds1

About 7-hydroxy-8-iodo-3-phenylchromen-2-one

7-hydroxy-8-iodo-3-phenylchromen-2-one (PubChem CID 12695316) has the molecular formula C15H9IO3 and a molecular weight of 364.14 g/mol. Its IUPAC name is 7-hydroxy-8-iodo-3-phenylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-iodo-3-phenylchromen-2-one
PubChem CID12695316
Molecular FormulaC15H9IO3
Molecular Weight364.14 g/mol
Exact Mass363.96
IUPAC Name7-hydroxy-8-iodo-3-phenylchromen-2-one
SMILESO=c1oc2c(I)c(O)ccc2cc1-c1ccccc1
InChIInChI=1S/C15H9IO3/c16-13-12(17)7-6-10-8-11(15(18)19-14(10)13)9-4-2-1-3-5-9/h1-8,17H
InChIKeyWMUKYEDKKSDEAA-UHFFFAOYSA-N
XLogP3.77
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-3-phenylchromen-8-yl)acetic acid
CID 10107691
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-phenylchromen-2-one
CID 7205030
3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one
CID 154947609
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
8-methoxy-3-phenylchromen-2-one
CID 2195449
3-(4-tert-butylphenyl)-7,8-dihydroxychromen-2-one
CID 171782308
6,8-ditert-butyl-3-phenylchromen-2-one
CID 26967072
3-phenylchromen-2-one;hydrochloride
CID 141206894
7,8-dihydroxy-3-(4-nitrophenyl)chromen-2-one
CID 15388824
22-phenyl-2,6,13,17,20-pentaoxatetracyclo[16.8.0.07,12.019,24]hexacosa-1(18),7,9,11,19(24),22,25-heptaen-21-one
CID 101390727
6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one
CID 23371948
6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one
CID 134911870

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-iodo-3-phenylchromen-2-one?
The IUPAC name of 7-hydroxy-8-iodo-3-phenylchromen-2-one (CID 12695316) is 7-hydroxy-8-iodo-3-phenylchromen-2-one.
What is the SMILES notation for 7-hydroxy-8-iodo-3-phenylchromen-2-one?
The canonical SMILES for 7-hydroxy-8-iodo-3-phenylchromen-2-one is O=c1oc2c(I)c(O)ccc2cc1-c1ccccc1.
What is the InChIKey of 7-hydroxy-8-iodo-3-phenylchromen-2-one?
The InChIKey is WMUKYEDKKSDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IO3/c16-13-12(17)7-6-10-8-11(15(18)19-14(10)13)9-4-2-1-3-5-9/h1-8,17H.
What are the key properties of 7-hydroxy-8-iodo-3-phenylchromen-2-one?
7-hydroxy-8-iodo-3-phenylchromen-2-one has a molecular weight of 364.14 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-iodo-3-phenylchromen-2-one is sourced from PubChem (CID 12695316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).