4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one

C18H15NO5 — CID 171392814

IUPAC4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
SMILESCOc1cc(/N=C(\C)c2c(O)c3ccccc3oc2=O)ccc1O
InChIInChI=1S/C18H15NO5/c1-10(19-11-7-8-13(20)15(9-11)23-2)16-17(21)12-5-3-4-6-14(12)24-18(16)22/h3-9,20-21H,1-2H3/b19-10+
InChIKeyWIOSZJVKPOVWDZ-VXLYETTFSA-N
MW325.32 g/mol
LogP3.35
Rot. Bonds3

About 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one

4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one (PubChem CID 171392814) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
PubChem CID171392814
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
SMILESCOc1cc(/N=C(\C)c2c(O)c3ccccc3oc2=O)ccc1O
InChIInChI=1S/C18H15NO5/c1-10(19-11-7-8-13(20)15(9-11)23-2)16-17(21)12-5-3-4-6-14(12)24-18(16)22/h3-9,20-21H,1-2H3/b19-10+
InChIKeyWIOSZJVKPOVWDZ-VXLYETTFSA-N
XLogP3.35
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[N-(3,4-dichlorophenyl)-C-methylcarbonimidoyl]-4-hydroxychromen-2-one
CID 146020943
4-hydroxy-3-[C-methyl-N-(2-methylphenyl)carbonimidoyl]chromen-2-one
CID 137225288
4-hydroxy-3-[N-[(4-methoxyphenyl)methyl]-C-methylcarbonimidoyl]chromen-2-one
CID 146020961
4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]chromen-2-one
CID 162651588
[1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 135444488
[(Z)-1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 136884261
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
N-[(4-hydroxy-2-oxochromen-3-yl)-(2-methoxyphenyl)methyl]acetamide
CID 102027817
4-hydroxy-3-[N-(4-hydroxy-2,2-dimethylbutyl)-C-methylcarbonimidoyl]chromen-2-one
CID 171804318
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(2,3,4-trimethoxyphenyl)methyl]chromen-2-one
CID 54725152
4-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 132563812
3-[(3,4-dihydroxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 54695589

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one (CID 171392814) is 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one is COc1cc(/N=C(\C)c2c(O)c3ccccc3oc2=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one?
The InChIKey is WIOSZJVKPOVWDZ-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15NO5/c1-10(19-11-7-8-13(20)15(9-11)23-2)16-17(21)12-5-3-4-6-14(12)24-18(16)22/h3-9,20-21H,1-2H3/b19-10+.
What are the key properties of 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one?
4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one has a molecular weight of 325.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[N-(4-hydroxy-3-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one is sourced from PubChem (CID 171392814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).