(2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone

C17H15Cl2NO4 — CID 54523915

IUPAC(2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1C(C)C
InChIInChI=1S/C17H15Cl2NO4/c1-9(2)12-6-10(4-5-15(12)24-3)17(21)16-13(18)7-11(20(22)23)8-14(16)19/h4-9H,1-3H3
InChIKeyYRTSLDKULXLMQU-UHFFFAOYSA-N
MW368.22 g/mol
LogP5.26
Rot. Bonds5

About (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone

(2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone (PubChem CID 54523915) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
PubChem CID54523915
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name(2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1C(C)C
InChIInChI=1S/C17H15Cl2NO4/c1-9(2)12-6-10(4-5-15(12)24-3)17(21)16-13(18)7-11(20(22)23)8-14(16)19/h4-9H,1-3H3
InChIKeyYRTSLDKULXLMQU-UHFFFAOYSA-N
XLogP5.26
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.22
LogP ≤ 55.26
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 (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)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

(E)-3-(4-methoxy-3-propan-2-ylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 71724449
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
methyl 3-(2-chloro-4-nitrobenzoyl)-4-methoxybenzoate
CID 67314034
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
2-(3-butan-2-yl-4-methoxyphenoxy)-1,3-dichloro-5-nitrobenzene
CID 25180784
4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
CID 82367309
1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)-4-nitrobenzene
CID 91056227
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
2-(2-chloro-4-nitrophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18192310
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone?
The IUPAC name of (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone (CID 54523915) is (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone.
What is the SMILES notation for (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone?
The canonical SMILES for (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone is COc1ccc(C(=O)c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1C(C)C.
What is the InChIKey of (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone?
The InChIKey is YRTSLDKULXLMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-9(2)12-6-10(4-5-15(12)24-3)17(21)16-13(18)7-11(20(22)23)8-14(16)19/h4-9H,1-3H3.
What are the key properties of (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone?
(2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone has a molecular weight of 368.22 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-nitrophenyl)-(4-methoxy-3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 54523915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).