10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol

C16H8ClNO4 — CID 176647139

IUPAC10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol
SMILESO=[N+]([O-])c1ccc2ccc3oc4ccc(Cl)cc4c3c2c1O
InChIInChI=1S/C16H8ClNO4/c17-9-3-6-12-10(7-9)15-13(22-12)5-2-8-1-4-11(18(20)21)16(19)14(8)15/h1-7,19H
InChIKeyNEKJUVOWAABRPD-UHFFFAOYSA-N
MW313.70 g/mol
LogP5.01
Rot. Bonds1

About 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol

10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol (PubChem CID 176647139) has the molecular formula C16H8ClNO4 and a molecular weight of 313.70 g/mol. Its IUPAC name is 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol.

Molecular Properties

Compound Name10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol
PubChem CID176647139
Molecular FormulaC16H8ClNO4
Molecular Weight313.70 g/mol
Exact Mass313.01
IUPAC Name10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol
SMILESO=[N+]([O-])c1ccc2ccc3oc4ccc(Cl)cc4c3c2c1O
InChIInChI=1S/C16H8ClNO4/c17-9-3-6-12-10(7-9)15-13(22-12)5-2-8-1-4-11(18(20)21)16(19)14(8)15/h1-7,19H
InChIKeyNEKJUVOWAABRPD-UHFFFAOYSA-N
XLogP5.01
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.70
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol?
The IUPAC name of 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol (CID 176647139) is 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol.
What is the SMILES notation for 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol?
The canonical SMILES for 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol is O=[N+]([O-])c1ccc2ccc3oc4ccc(Cl)cc4c3c2c1O.
What is the InChIKey of 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol?
The InChIKey is NEKJUVOWAABRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClNO4/c17-9-3-6-12-10(7-9)15-13(22-12)5-2-8-1-4-11(18(20)21)16(19)14(8)15/h1-7,19H.
What are the key properties of 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol?
10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol has a molecular weight of 313.70 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol is sourced from PubChem (CID 176647139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).