(2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone

C15H12ClNO4 — CID 884295

IUPAC(2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H12ClNO4/c1-2-21-12-6-3-10(4-7-12)15(18)13-9-11(17(19)20)5-8-14(13)16/h3-9H,2H2,1H3
InChIKeyZNLGUXWEPWRKNO-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.88
Rot. Bonds5

About (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone

(2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone (PubChem CID 884295) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone
PubChem CID884295
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name(2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H12ClNO4/c1-2-21-12-6-3-10(4-7-12)15(18)13-9-11(17(19)20)5-8-14(13)16/h3-9H,2H2,1H3
InChIKeyZNLGUXWEPWRKNO-UHFFFAOYSA-N
XLogP3.88
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.88
H-Bond Donors ≤ 50
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'}

Analyze (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Chlorophenyl)(4-methoxy-3-nitrophenyl)methanone
CID 736109
(Z)-3-[5-(2-Chloro-5-nitro-phenyl)-furan-2-yl]-2-cyano-acrylamide
CID 867550
{4-Chloro-3-nitrophenyl}(4-methoxyphenyl)methanone
CID 838861
(2-Chloro-5-nitrophenyl)(4-methoxyphenyl)methanone
CID 885157
4-Methoxy-3-nitrophenyl phenyl ketone
CID 3600181
(2-Ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-chloro-5-nitrobenzoate
CID 162645868
(2-Chloro-4-nitrophenyl)(4-ethoxyphenyl)methanone
CID 884265
(2-Chloro-4-nitrophenyl)(4-methoxyphenyl)methanone
CID 884291
2-Chloro-1-[4-(1-methylethoxy)-3-nitrophenyl]ethanone
CID 118247628
F1186-0036
CID 5378188
4-Nitrophenyl 2-chlorobenzoate
CID 532556
4'-(4-Nitrobenzyloxy)acetophenone
CID 2801340

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone (CID 884295) is (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is ZNLGUXWEPWRKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-2-21-12-6-3-10(4-7-12)15(18)13-9-11(17(19)20)5-8-14(13)16/h3-9H,2H2,1H3.
What are the key properties of (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone?
(2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 305.72 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-nitrophenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 884295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).