(3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate

C15H11Cl2NO4 — CID 4165580

IUPAC(3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11Cl2NO4/c16-12-5-4-11(14(17)8-12)7-15(19)22-9-10-2-1-3-13(6-10)18(20)21/h1-6,8H,7,9H2
InChIKeyGUYHZSPTVZXRKK-UHFFFAOYSA-N
MW340.16 g/mol
LogP4.19
Rot. Bonds5

About (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate

(3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate (PubChem CID 4165580) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name(3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate
PubChem CID4165580
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name(3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11Cl2NO4/c16-12-5-4-11(14(17)8-12)7-15(19)22-9-10-2-1-3-13(6-10)18(20)21/h1-6,8H,7,9H2
InChIKeyGUYHZSPTVZXRKK-UHFFFAOYSA-N
XLogP4.19
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 54.19
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'}

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Related Compounds

[2-(3-nitroanilino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2554390
(3-nitrophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 5191268
(3-nitrophenyl)methyl 2-(5-chloro-2,3-dioxoindol-1-yl)acetate
CID 121403509
[3-(4-nitrophenoxy)phenyl]methyl 2-(4-chlorophenyl)acetate
CID 126182645
(3-nitrophenyl)methyl 4-(2-chloroanilino)-4-oxobutanoate
CID 1310126
N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
CID 46770850
benzyl 3-(3-nitrophenyl)propanoate
CID 155323351
5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
CID 43244315
(2,4-dichlorophenyl)methyl 2-[(3-nitrobenzoyl)amino]propanoate
CID 55309534
4-(2,4-dichlorophenyl)-1-(3-nitrophenyl)butan-1-one
CID 157234645
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 1310079
2-[carboxymethyl-[(4-chloro-2-nitrophenyl)methyl]amino]acetic acid;2-[carboxymethyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 88625896

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate (CID 4165580) is (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate?
The InChIKey is GUYHZSPTVZXRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c16-12-5-4-11(14(17)8-12)7-15(19)22-9-10-2-1-3-13(6-10)18(20)21/h1-6,8H,7,9H2.
What are the key properties of (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate?
(3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate has a molecular weight of 340.16 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 4165580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).