(5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium

C9H11ClNO3+ — CID 142513053

IUPAC(5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium
SMILESCOc1cc(C)c(Cl)cc1[N+](=O)OC
InChIInChI=1S/C9H11ClNO3/c1-6-4-9(13-2)8(5-7(6)10)11(12)14-3/h4-5H,1-3H3/q+1
InChIKeyGHAMNDAXPMTHTR-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.63
Rot. Bonds3

About (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium

(5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium (PubChem CID 142513053) has the molecular formula C9H11ClNO3+ and a molecular weight of 216.64 g/mol. Its IUPAC name is (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium
PubChem CID142513053
Molecular FormulaC9H11ClNO3+
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name(5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium
SMILESCOc1cc(C)c(Cl)cc1[N+](=O)OC
InChIInChI=1S/C9H11ClNO3/c1-6-4-9(13-2)8(5-7(6)10)11(12)14-3/h4-5H,1-3H3/q+1
InChIKeyGHAMNDAXPMTHTR-UHFFFAOYSA-N
XLogP2.63
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol
CID 160662548
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 934502
2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82489786
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone
CID 116863865
1-chloro-5-isocyanato-4-methoxy-2-methylbenzene;5-chloro-2-methoxy-4-methylaniline;1-chloro-4-methoxy-2-methyl-5-nitrobenzene;4-chloro-5-methyl-2-nitrophenol
CID 167640282

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium?
The IUPAC name of (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium (CID 142513053) is (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium.
What is the SMILES notation for (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium?
The canonical SMILES for (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium is COc1cc(C)c(Cl)cc1[N+](=O)OC.
What is the InChIKey of (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium?
The InChIKey is GHAMNDAXPMTHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClNO3/c1-6-4-9(13-2)8(5-7(6)10)11(12)14-3/h4-5H,1-3H3/q+1.
What are the key properties of (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium?
(5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium has a molecular weight of 216.64 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium is sourced from PubChem (CID 142513053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).