(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone

C15H9NO5 — CID 154334241

IUPAC(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(O)cc1)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C15H9NO5/c17-12-4-1-9(2-5-12)15(18)14-8-10-7-11(16(19)20)3-6-13(10)21-14/h1-8,17H
InChIKeyICWCVJPDLPEIRC-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.28
Rot. Bonds3

About (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone

(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone (PubChem CID 154334241) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
PubChem CID154334241
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(O)cc1)c1cc2cc([N+](=O)[O-])ccc2o1
InChIInChI=1S/C15H9NO5/c17-12-4-1-9(2-5-12)15(18)14-8-10-7-11(16(19)20)3-6-13(10)21-14/h1-8,17H
InChIKeyICWCVJPDLPEIRC-UHFFFAOYSA-N
XLogP3.28
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
5-nitro-1-benzofuran-2-carbohydrazide
CID 30772172
(4-hydroxyphenyl)-(2-methyl-5-nitro-1-benzofuran-3-yl)methanone
CID 54199462
benzyl 5-nitro-1-benzofuran-2-carboxylate
CID 77230405
ethyl 2-(3-nitrobenzoyl)-1-benzofuran-5-carboxylate
CID 170872107
[3-(4-hydroxybenzoyl)-5-nitrophenyl]-(4-hydroxyphenyl)methanone
CID 12070506
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 10497900
(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
CID 115957451
6-nitro-2-oxochromene-3-carbonyl chloride
CID 12764546
(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 142529081
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-nitro-1-benzofuran-2-yl)methanone
CID 120807391
N-[(E)-benzylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 121005396

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone (CID 154334241) is (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone is O=C(c1ccc(O)cc1)c1cc2cc([N+](=O)[O-])ccc2o1.
What is the InChIKey of (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone?
The InChIKey is ICWCVJPDLPEIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c17-12-4-1-9(2-5-12)15(18)14-8-10-7-11(16(19)20)3-6-13(10)21-14/h1-8,17H.
What are the key properties of (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone?
(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone has a molecular weight of 283.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 154334241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).