dichloromethane;2-methoxy-4-nitrophenol

C8H9Cl2NO4 — CID 141183892

IUPACdichloromethane;2-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])ccc1O.ClCCl
InChIInChI=1S/C7H7NO4.CH2Cl2/c1-12-7-4-5(8(10)11)2-3-6(7)9;2-1-3/h2-4,9H,1H3;1H2
InChIKeyGPBRRLWOOUACLO-UHFFFAOYSA-N
MW254.07 g/mol
LogP2.73
Rot. Bonds2

About dichloromethane;2-methoxy-4-nitrophenol

dichloromethane;2-methoxy-4-nitrophenol (PubChem CID 141183892) has the molecular formula C8H9Cl2NO4 and a molecular weight of 254.07 g/mol. Its IUPAC name is dichloromethane;2-methoxy-4-nitrophenol.

Molecular Properties

Compound Namedichloromethane;2-methoxy-4-nitrophenol
PubChem CID141183892
Molecular FormulaC8H9Cl2NO4
Molecular Weight254.07 g/mol
Exact Mass252.99
IUPAC Namedichloromethane;2-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])ccc1O.ClCCl
InChIInChI=1S/C7H7NO4.CH2Cl2/c1-12-7-4-5(8(10)11)2-3-6(7)9;2-1-3/h2-4,9H,1H3;1H2
InChIKeyGPBRRLWOOUACLO-UHFFFAOYSA-N
XLogP2.73
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dichloromethane;2-methoxy-4-nitrophenol 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

ethane;2-methoxy-4-nitrophenol
CID 91188946
2-methoxy-4-nitrophenol;phosphoric acid
CID 174688966
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
1-fluoro-2-methoxy-4-nitrobenzene;2-fluoro-5-nitrophenol;iodomethane
CID 159872885
2-methoxy-4-nitrobenzenethiol
CID 22148741
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
2-methoxy-4-nitrobenzoate
CID 6995516
azane;2-(2-methoxy-4-nitrophenyl)ethanamine
CID 19827481
2-methoxy-4-[[1-(4-nitrophenyl)ethylamino]methyl]phenol
CID 139637273
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-methoxy-4-nitrophenol?
The IUPAC name of dichloromethane;2-methoxy-4-nitrophenol (CID 141183892) is dichloromethane;2-methoxy-4-nitrophenol.
What is the SMILES notation for dichloromethane;2-methoxy-4-nitrophenol?
The canonical SMILES for dichloromethane;2-methoxy-4-nitrophenol is COc1cc([N+](=O)[O-])ccc1O.ClCCl.
What is the InChIKey of dichloromethane;2-methoxy-4-nitrophenol?
The InChIKey is GPBRRLWOOUACLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.CH2Cl2/c1-12-7-4-5(8(10)11)2-3-6(7)9;2-1-3/h2-4,9H,1H3;1H2.
What are the key properties of dichloromethane;2-methoxy-4-nitrophenol?
dichloromethane;2-methoxy-4-nitrophenol has a molecular weight of 254.07 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2-methoxy-4-nitrophenol is sourced from PubChem (CID 141183892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).