(4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone

C15H13NO5 — CID 141155514

IUPAC(4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)c(O)c1
InChIInChI=1S/C15H13NO5/c1-2-21-12-6-7-13(14(17)9-12)15(18)10-4-3-5-11(8-10)16(19)20/h3-9,17H,2H2,1H3
InChIKeyAJQWZLYISSFLOE-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.93
Rot. Bonds5

About (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone

(4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone (PubChem CID 141155514) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone
PubChem CID141155514
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)c(O)c1
InChIInChI=1S/C15H13NO5/c1-2-21-12-6-7-13(14(17)9-12)15(18)10-4-3-5-11(8-10)16(19)20/h3-9,17H,2H2,1H3
InChIKeyAJQWZLYISSFLOE-UHFFFAOYSA-N
XLogP2.93
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.93
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

[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7476756
[2-(3-nitrophenyl)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 2287436
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 14241911
4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 46575952
3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342365
2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269466
N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide
CID 7925385
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
CID 4527616
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone?
The IUPAC name of (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone (CID 141155514) is (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone.
What is the SMILES notation for (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone?
The canonical SMILES for (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone is CCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)c(O)c1.
What is the InChIKey of (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone?
The InChIKey is AJQWZLYISSFLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-2-21-12-6-7-13(14(17)9-12)15(18)10-4-3-5-11(8-10)16(19)20/h3-9,17H,2H2,1H3.
What are the key properties of (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone?
(4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone has a molecular weight of 287.27 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone is sourced from PubChem (CID 141155514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).