6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one

C21H15NO4 — CID 127042010

IUPAC6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one
SMILESO=c1ccc2cc(OC/C(=N\O)c3ccc4ccccc4c3)ccc2o1
InChIInChI=1S/C21H15NO4/c23-21-10-7-17-12-18(8-9-20(17)26-21)25-13-19(22-24)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2/b22-19+
InChIKeyLPQYWVXUXNGGQP-ZBJSNUHESA-N
MW345.35 g/mol
LogP4.20
Rot. Bonds4

About 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one

6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one (PubChem CID 127042010) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one.

Molecular Properties

Compound Name6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one
PubChem CID127042010
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one
SMILESO=c1ccc2cc(OC/C(=N\O)c3ccc4ccccc4c3)ccc2o1
InChIInChI=1S/C21H15NO4/c23-21-10-7-17-12-18(8-9-20(17)26-21)25-13-19(22-24)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2/b22-19+
InChIKeyLPQYWVXUXNGGQP-ZBJSNUHESA-N
XLogP4.20
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one?
The IUPAC name of 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one (CID 127042010) is 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one.
What is the SMILES notation for 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one?
The canonical SMILES for 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one is O=c1ccc2cc(OC/C(=N\O)c3ccc4ccccc4c3)ccc2o1.
What is the InChIKey of 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one?
The InChIKey is LPQYWVXUXNGGQP-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H15NO4/c23-21-10-7-17-12-18(8-9-20(17)26-21)25-13-19(22-24)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2/b22-19+.
What are the key properties of 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one?
6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one has a molecular weight of 345.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethoxy]chromen-2-one is sourced from PubChem (CID 127042010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).