(3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol

C15H10ClNO4 — CID 2728251

IUPAC(3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol
SMILESO=[N+]([O-])c1ccc2oc(C(O)c3cccc(Cl)c3)cc2c1
InChIInChI=1S/C15H10ClNO4/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17(19)20)4-5-13(10)21-14/h1-8,15,18H
InChIKeyLZUJVVSSNKDVHT-UHFFFAOYSA-N
MW303.70 g/mol
LogP4.08
Rot. Bonds3

About (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol

(3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol (PubChem CID 2728251) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol
PubChem CID2728251
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name(3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol
SMILESO=[N+]([O-])c1ccc2oc(C(O)c3cccc(Cl)c3)cc2c1
InChIInChI=1S/C15H10ClNO4/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17(19)20)4-5-13(10)21-14/h1-8,15,18H
InChIKeyLZUJVVSSNKDVHT-UHFFFAOYSA-N
XLogP4.08
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 54.08
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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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol (CID 2728251) is (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol is O=[N+]([O-])c1ccc2oc(C(O)c3cccc(Cl)c3)cc2c1.
What is the InChIKey of (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol?
The InChIKey is LZUJVVSSNKDVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17(19)20)4-5-13(10)21-14/h1-8,15,18H.
What are the key properties of (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol?
(3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol has a molecular weight of 303.70 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(5-nitro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 2728251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).