6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one

C17H15NO4 — CID 122188453

IUPAC6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2ccc(OCNc3ccccc3O)cc12
InChIInChI=1S/C17H15NO4/c1-11-8-17(20)22-16-7-6-12(9-13(11)16)21-10-18-14-4-2-3-5-15(14)19/h2-9,18-19H,10H2,1H3
InChIKeyFCVAMTQNHNFORR-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.26
Rot. Bonds4

About 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one

6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one (PubChem CID 122188453) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one
PubChem CID122188453
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2ccc(OCNc3ccccc3O)cc12
InChIInChI=1S/C17H15NO4/c1-11-8-17(20)22-16-7-6-12(9-13(11)16)21-10-18-14-4-2-3-5-15(14)19/h2-9,18-19H,10H2,1H3
InChIKeyFCVAMTQNHNFORR-UHFFFAOYSA-N
XLogP3.26
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-4-methylchromen-2-one
CID 91726871
[3-[2-(4-methyl-2-oxochromen-6-yl)oxyethylamino]phenyl]boronic acid
CID 142731462
6-decoxy-4-methylchromen-2-one
CID 3818631
N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 930250
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 906216
6-[3-(diethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 44578881
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
4-methyl-6-[(E)-3-(trifluoromethylsulfanyl)prop-2-enoxy]chromen-2-one
CID 166441109
ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate
CID 1329212

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one?
The IUPAC name of 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one (CID 122188453) is 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one?
The canonical SMILES for 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2ccc(OCNc3ccccc3O)cc12.
What is the InChIKey of 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one?
The InChIKey is FCVAMTQNHNFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11-8-17(20)22-16-7-6-12(9-13(11)16)21-10-18-14-4-2-3-5-15(14)19/h2-9,18-19H,10H2,1H3.
What are the key properties of 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one?
6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one has a molecular weight of 297.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 122188453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).