3-hydroxy-2-phenylchromen-4-one;iron

C15H10FeO3 — CID 161072875

IUPAC3-hydroxy-2-phenylchromen-4-one;iron
SMILESO=c1c(O)c(-c2ccccc2)oc2ccccc12.[Fe]
InChIInChI=1S/C15H10O3.Fe/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;/h1-9,17H;
InChIKeyUEWRLNDYQQDRFK-UHFFFAOYSA-N
MW294.09 g/mol
LogP3.16
Rot. Bonds1

About 3-hydroxy-2-phenylchromen-4-one;iron

3-hydroxy-2-phenylchromen-4-one;iron (PubChem CID 161072875) has the molecular formula C15H10FeO3 and a molecular weight of 294.09 g/mol. Its IUPAC name is 3-hydroxy-2-phenylchromen-4-one;iron.

Molecular Properties

Compound Name3-hydroxy-2-phenylchromen-4-one;iron
PubChem CID161072875
Molecular FormulaC15H10FeO3
Molecular Weight294.09 g/mol
Exact Mass294.00
IUPAC Name3-hydroxy-2-phenylchromen-4-one;iron
SMILESO=c1c(O)c(-c2ccccc2)oc2ccccc12.[Fe]
InChIInChI=1S/C15H10O3.Fe/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;/h1-9,17H;
InChIKeyUEWRLNDYQQDRFK-UHFFFAOYSA-N
XLogP3.16
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
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2-[4-[bis(2-hydroxyethyl)amino]phenyl]-3-hydroxychromen-4-one
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2-(2-chlorophenyl)-3-hydroxychromen-4-one
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2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenylchromen-4-one;iron?
The IUPAC name of 3-hydroxy-2-phenylchromen-4-one;iron (CID 161072875) is 3-hydroxy-2-phenylchromen-4-one;iron.
What is the SMILES notation for 3-hydroxy-2-phenylchromen-4-one;iron?
The canonical SMILES for 3-hydroxy-2-phenylchromen-4-one;iron is O=c1c(O)c(-c2ccccc2)oc2ccccc12.[Fe].
What is the InChIKey of 3-hydroxy-2-phenylchromen-4-one;iron?
The InChIKey is UEWRLNDYQQDRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3.Fe/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;/h1-9,17H;.
What are the key properties of 3-hydroxy-2-phenylchromen-4-one;iron?
3-hydroxy-2-phenylchromen-4-one;iron has a molecular weight of 294.09 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenylchromen-4-one;iron is sourced from PubChem (CID 161072875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).