(4-methoxyphenyl)-methyl-oxoazanium

C8H10NO2+ — CID 143688246

IUPAC(4-methoxyphenyl)-methyl-oxoazanium
SMILESCOc1ccc([N+](C)=O)cc1
InChIInChI=1S/C8H10NO2/c1-9(10)7-3-5-8(11-2)6-4-7/h3-6H,1-2H3/q+1
InChIKeyLHTZOHLHWFLKBW-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.74
Rot. Bonds2

About (4-methoxyphenyl)-methyl-oxoazanium

(4-methoxyphenyl)-methyl-oxoazanium (PubChem CID 143688246) has the molecular formula C8H10NO2+ and a molecular weight of 152.17 g/mol. Its IUPAC name is (4-methoxyphenyl)-methyl-oxoazanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-methyl-oxoazanium
PubChem CID143688246
Molecular FormulaC8H10NO2+
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name(4-methoxyphenyl)-methyl-oxoazanium
SMILESCOc1ccc([N+](C)=O)cc1
InChIInChI=1S/C8H10NO2/c1-9(10)7-3-5-8(11-2)6-4-7/h3-6H,1-2H3/q+1
InChIKeyLHTZOHLHWFLKBW-UHFFFAOYSA-N
XLogP1.74
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 177430776
CID 177430776
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
(4-methoxyphenyl)-oxo-phenylazanium perchlorate
CID 71383063
(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 15151138
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
CID 16732361
CID 16732361
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 135433724
sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 136668916
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-(4-methoxyphenyl)selenonylbenzene
CID 11771710
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-methyl-oxoazanium?
The IUPAC name of (4-methoxyphenyl)-methyl-oxoazanium (CID 143688246) is (4-methoxyphenyl)-methyl-oxoazanium.
What is the SMILES notation for (4-methoxyphenyl)-methyl-oxoazanium?
The canonical SMILES for (4-methoxyphenyl)-methyl-oxoazanium is COc1ccc([N+](C)=O)cc1.
What is the InChIKey of (4-methoxyphenyl)-methyl-oxoazanium?
The InChIKey is LHTZOHLHWFLKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2/c1-9(10)7-3-5-8(11-2)6-4-7/h3-6H,1-2H3/q+1.
What are the key properties of (4-methoxyphenyl)-methyl-oxoazanium?
(4-methoxyphenyl)-methyl-oxoazanium has a molecular weight of 152.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-methyl-oxoazanium is sourced from PubChem (CID 143688246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).