5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one

C17H13NO5 — CID 136882002

IUPAC5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one
SMILESCc1cc(=O)c2c(O)c(/C=N/c3ccccc3O)c(O)cc2o1
InChIInChI=1S/C17H13NO5/c1-9-6-14(21)16-15(23-9)7-13(20)10(17(16)22)8-18-11-4-2-3-5-12(11)19/h2-8,19-20,22H,1H3/b18-8+
InChIKeyVACCFDRFPMLKMG-QGMBQPNBSA-N
MW311.29 g/mol
LogP2.97
Rot. Bonds2

About 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one

5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one (PubChem CID 136882002) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one
PubChem CID136882002
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one
SMILESCc1cc(=O)c2c(O)c(/C=N/c3ccccc3O)c(O)cc2o1
InChIInChI=1S/C17H13NO5/c1-9-6-14(21)16-15(23-9)7-13(20)10(17(16)22)8-18-11-4-2-3-5-12(11)19/h2-8,19-20,22H,1H3/b18-8+
InChIKeyVACCFDRFPMLKMG-QGMBQPNBSA-N
XLogP2.97
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604
6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one
CID 135531248
4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one
CID 135496555
5-hydroxy-2,6-dimethylchromen-4-one
CID 170989896
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790
5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione
CID 42631475
5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-2-phenylchromen-4-one
CID 167993314
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
benzyl N-[(Z)-(7-hydroxy-5-methoxy-2-methyl-4-oxochromen-6-yl)methylideneamino]carbamodithioate
CID 163196715
1-[(2-hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol
CID 1368156
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
4-hydroxy-6-methyl-3-[(4-propan-2-ylphenyl)iminomethyl]pyran-2-one
CID 135420867

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one (CID 136882002) is 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one is Cc1cc(=O)c2c(O)c(/C=N/c3ccccc3O)c(O)cc2o1.
What is the InChIKey of 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one?
The InChIKey is VACCFDRFPMLKMG-QGMBQPNBSA-N. The full InChI is InChI=1S/C17H13NO5/c1-9-6-14(21)16-15(23-9)7-13(20)10(17(16)22)8-18-11-4-2-3-5-12(11)19/h2-8,19-20,22H,1H3/b18-8+.
What are the key properties of 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one?
5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one has a molecular weight of 311.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one is sourced from PubChem (CID 136882002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).