6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one

C15H9IO4 — CID 23371948

IUPAC6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one
SMILESO=c1oc2cc(O)c(O)cc2cc1-c1ccc(I)cc1
InChIInChI=1S/C15H9IO4/c16-10-3-1-8(2-4-10)11-5-9-6-12(17)13(18)7-14(9)20-15(11)19/h1-7,17-18H
InChIKeyCXXTZLWZRADCML-UHFFFAOYSA-N
MW380.14 g/mol
LogP3.48
Rot. Bonds1

About 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one

6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one (PubChem CID 23371948) has the molecular formula C15H9IO4 and a molecular weight of 380.14 g/mol. Its IUPAC name is 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one.

Molecular Properties

Compound Name6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one
PubChem CID23371948
Molecular FormulaC15H9IO4
Molecular Weight380.14 g/mol
Exact Mass379.95
IUPAC Name6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one
SMILESO=c1oc2cc(O)c(O)cc2cc1-c1ccc(I)cc1
InChIInChI=1S/C15H9IO4/c16-10-3-1-8(2-4-10)11-5-9-6-12(17)13(18)7-14(9)20-15(11)19/h1-7,17-18H
InChIKeyCXXTZLWZRADCML-UHFFFAOYSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6,7-dihydroxy-3-thiophen-2-ylchromen-2-one
CID 23371942
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
3-(4-bromophenyl)-7-hydroxychromen-2-one
CID 5393163
3-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)-6,7-dihydroxychromen-2-one
CID 139592645
7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one
CID 58120354
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
7-hydroxy-8-iodo-3-phenylchromen-2-one
CID 12695316
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
6,7-dihydroxychromen-2-one
CID 5281416
N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
CID 3978077
3-(4-aminophenyl)-6-chlorochromen-2-one
CID 86096561
6-hydroxy-3-phenyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 87280465

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one?
The IUPAC name of 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one (CID 23371948) is 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one.
What is the SMILES notation for 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one?
The canonical SMILES for 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one is O=c1oc2cc(O)c(O)cc2cc1-c1ccc(I)cc1.
What is the InChIKey of 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one?
The InChIKey is CXXTZLWZRADCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IO4/c16-10-3-1-8(2-4-10)11-5-9-6-12(17)13(18)7-14(9)20-15(11)19/h1-7,17-18H.
What are the key properties of 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one?
6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one has a molecular weight of 380.14 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-3-(4-iodophenyl)chromen-2-one is sourced from PubChem (CID 23371948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).