[(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone

C18H17NO4 — CID 72712550

IUPAC[(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone
SMILESCO/N=C1\CCOc2cccc(C(=O)c3ccccc3OC)c21
InChIInChI=1S/C18H17NO4/c1-21-15-8-4-3-6-12(15)18(20)13-7-5-9-16-17(13)14(19-22-2)10-11-23-16/h3-9H,10-11H2,1-2H3/b19-14+
InChIKeyMUOXVZBPJJMZTR-XMHGGMMESA-N
MW311.34 g/mol
LogP3.06
Rot. Bonds4

About [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone

[(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone (PubChem CID 72712550) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone
PubChem CID72712550
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone
SMILESCO/N=C1\CCOc2cccc(C(=O)c3ccccc3OC)c21
InChIInChI=1S/C18H17NO4/c1-21-15-8-4-3-6-12(15)18(20)13-7-5-9-16-17(13)14(19-22-2)10-11-23-16/h3-9H,10-11H2,1-2H3/b19-14+
InChIKeyMUOXVZBPJJMZTR-XMHGGMMESA-N
XLogP3.06
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone (CID 72712550) is [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone is CO/N=C1\CCOc2cccc(C(=O)c3ccccc3OC)c21.
What is the InChIKey of [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone?
The InChIKey is MUOXVZBPJJMZTR-XMHGGMMESA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-15-8-4-3-6-12(15)18(20)13-7-5-9-16-17(13)14(19-22-2)10-11-23-16/h3-9H,10-11H2,1-2H3/b19-14+.
What are the key properties of [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone?
[(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone has a molecular weight of 311.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-methoxyimino-2,3-dihydrochromen-5-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 72712550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).