(3-methoxy-4-methylphenyl)-oxoazanium

C8H10NO2+ — CID 143003126

IUPAC(3-methoxy-4-methylphenyl)-oxoazanium
SMILESCOc1cc([NH+]=O)ccc1C
InChIInChI=1S/C8H9NO2/c1-6-3-4-7(9-10)5-8(6)11-2/h3-5H,1-2H3/p+1
InChIKeyIWZLDKIJNIAGOJ-UHFFFAOYSA-O
MW152.17 g/mol
LogP0.48
Rot. Bonds2

About (3-methoxy-4-methylphenyl)-oxoazanium

(3-methoxy-4-methylphenyl)-oxoazanium (PubChem CID 143003126) has the molecular formula C8H10NO2+ and a molecular weight of 152.17 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-oxoazanium.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-oxoazanium
PubChem CID143003126
Molecular FormulaC8H10NO2+
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name(3-methoxy-4-methylphenyl)-oxoazanium
SMILESCOc1cc([NH+]=O)ccc1C
InChIInChI=1S/C8H9NO2/c1-6-3-4-7(9-10)5-8(6)11-2/h3-5H,1-2H3/p+1
InChIKeyIWZLDKIJNIAGOJ-UHFFFAOYSA-O
XLogP0.48
TPSA40.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
(3-methoxy-4-methylphenyl)azanium
CID 148795563
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
CID 168942546
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
4-isocyano-2-methoxy-1-methylbenzene
CID 58757440
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-oxoazanium?
The IUPAC name of (3-methoxy-4-methylphenyl)-oxoazanium (CID 143003126) is (3-methoxy-4-methylphenyl)-oxoazanium.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-oxoazanium?
The canonical SMILES for (3-methoxy-4-methylphenyl)-oxoazanium is COc1cc([NH+]=O)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-oxoazanium?
The InChIKey is IWZLDKIJNIAGOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NO2/c1-6-3-4-7(9-10)5-8(6)11-2/h3-5H,1-2H3/p+1.
What are the key properties of (3-methoxy-4-methylphenyl)-oxoazanium?
(3-methoxy-4-methylphenyl)-oxoazanium has a molecular weight of 152.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-oxoazanium is sourced from PubChem (CID 143003126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).