2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one

C17H13NO3 — CID 11119445

IUPAC2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
SMILESCO/N=C/c1cccc(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C17H13NO3/c1-20-18-11-12-5-4-6-13(9-12)17-10-15(19)14-7-2-3-8-16(14)21-17/h2-11H,1H3/b18-11+
InChIKeyQCLOHWUQOXKXKB-WOJGMQOQSA-N
MW279.30 g/mol
LogP3.44
Rot. Bonds3

About 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one

2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one (PubChem CID 11119445) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
PubChem CID11119445
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
SMILESCO/N=C/c1cccc(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C17H13NO3/c1-20-18-11-12-5-4-6-13(9-12)17-10-15(19)14-7-2-3-8-16(14)21-17/h2-11H,1H3/b18-11+
InChIKeyQCLOHWUQOXKXKB-WOJGMQOQSA-N
XLogP3.44
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
CID 10684060
2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
CID 102579300
2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide
CID 127034765
CID 159796273
CID 159796273
2-(3-thiophen-2-ylphenyl)chromen-4-one
CID 91111580
2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
CID 59086251
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one?
The IUPAC name of 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one (CID 11119445) is 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one.
What is the SMILES notation for 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one?
The canonical SMILES for 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one is CO/N=C/c1cccc(-c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one?
The InChIKey is QCLOHWUQOXKXKB-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-18-11-12-5-4-6-13(9-12)17-10-15(19)14-7-2-3-8-16(14)21-17/h2-11H,1H3/b18-11+.
What are the key properties of 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one?
2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one has a molecular weight of 279.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one is sourced from PubChem (CID 11119445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).