7,8-dihydroxy-6-(iodomethoxy)chromen-2-one

C10H7IO5 — CID 88563798

IUPAC7,8-dihydroxy-6-(iodomethoxy)chromen-2-one
SMILESO=c1ccc2cc(OCI)c(O)c(O)c2o1
InChIInChI=1S/C10H7IO5/c11-4-15-6-3-5-1-2-7(12)16-10(5)9(14)8(6)13/h1-3,13-14H,4H2
InChIKeyUGTKSCZMUDEZTM-UHFFFAOYSA-N
MW334.07 g/mol
LogP1.98
Rot. Bonds2

About 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one

7,8-dihydroxy-6-(iodomethoxy)chromen-2-one (PubChem CID 88563798) has the molecular formula C10H7IO5 and a molecular weight of 334.07 g/mol. Its IUPAC name is 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one.

Molecular Properties

Compound Name7,8-dihydroxy-6-(iodomethoxy)chromen-2-one
PubChem CID88563798
Molecular FormulaC10H7IO5
Molecular Weight334.07 g/mol
Exact Mass333.93
IUPAC Name7,8-dihydroxy-6-(iodomethoxy)chromen-2-one
SMILESO=c1ccc2cc(OCI)c(O)c(O)c2o1
InChIInChI=1S/C10H7IO5/c11-4-15-6-3-5-1-2-7(12)16-10(5)9(14)8(6)13/h1-3,13-14H,4H2
InChIKeyUGTKSCZMUDEZTM-UHFFFAOYSA-N
XLogP1.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.07
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one?
The IUPAC name of 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one (CID 88563798) is 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one.
What is the SMILES notation for 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one?
The canonical SMILES for 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one is O=c1ccc2cc(OCI)c(O)c(O)c2o1.
What is the InChIKey of 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one?
The InChIKey is UGTKSCZMUDEZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO5/c11-4-15-6-3-5-1-2-7(12)16-10(5)9(14)8(6)13/h1-3,13-14H,4H2.
What are the key properties of 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one?
7,8-dihydroxy-6-(iodomethoxy)chromen-2-one has a molecular weight of 334.07 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-6-(iodomethoxy)chromen-2-one is sourced from PubChem (CID 88563798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).