5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one

C14H10ClNO6 — CID 10829786

IUPAC5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2occc2c(OC)c2c(Cl)c(/C=N/O)c(=O)oc12
InChIInChI=1S/C14H10ClNO6/c1-19-10-6-3-4-21-11(6)13(20-2)12-8(10)9(15)7(5-16-18)14(17)22-12/h3-5,18H,1-2H3/b16-5+
InChIKeyDAKRJEITTKSJCA-FZSIALSZSA-N
MW323.69 g/mol
LogP3.02
Rot. Bonds3

About 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one

5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one (PubChem CID 10829786) has the molecular formula C14H10ClNO6 and a molecular weight of 323.69 g/mol. Its IUPAC name is 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one
PubChem CID10829786
Molecular FormulaC14H10ClNO6
Molecular Weight323.69 g/mol
Exact Mass323.02
IUPAC Name5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2occc2c(OC)c2c(Cl)c(/C=N/O)c(=O)oc12
InChIInChI=1S/C14H10ClNO6/c1-19-10-6-3-4-21-11(6)13(20-2)12-8(10)9(15)7(5-16-18)14(17)22-12/h3-5,18H,1-2H3/b16-5+
InChIKeyDAKRJEITTKSJCA-FZSIALSZSA-N
XLogP3.02
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one (CID 10829786) is 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one is COc1c2occc2c(OC)c2c(Cl)c(/C=N/O)c(=O)oc12.
What is the InChIKey of 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one?
The InChIKey is DAKRJEITTKSJCA-FZSIALSZSA-N. The full InChI is InChI=1S/C14H10ClNO6/c1-19-10-6-3-4-21-11(6)13(20-2)12-8(10)9(15)7(5-16-18)14(17)22-12/h3-5,18H,1-2H3/b16-5+.
What are the key properties of 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one?
5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one has a molecular weight of 323.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 10829786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).