(3-methoxy-5-methylphenyl)-methyloxidanium

C9H13O2+ — CID 143118319

IUPAC(3-methoxy-5-methylphenyl)-methyloxidanium
SMILESCOc1cc(C)cc([OH+]C)c1
InChIInChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3/p+1
InChIKeyRIZBLVRXRWHLFA-UHFFFAOYSA-O
MW153.20 g/mol
LogP1.87
Rot. Bonds2

About (3-methoxy-5-methylphenyl)-methyloxidanium

(3-methoxy-5-methylphenyl)-methyloxidanium (PubChem CID 143118319) has the molecular formula C9H13O2+ and a molecular weight of 153.20 g/mol. Its IUPAC name is (3-methoxy-5-methylphenyl)-methyloxidanium.

Molecular Properties

Compound Name(3-methoxy-5-methylphenyl)-methyloxidanium
PubChem CID143118319
Molecular FormulaC9H13O2+
Molecular Weight153.20 g/mol
Exact Mass153.09
IUPAC Name(3-methoxy-5-methylphenyl)-methyloxidanium
SMILESCOc1cc(C)cc([OH+]C)c1
InChIInChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3/p+1
InChIKeyRIZBLVRXRWHLFA-UHFFFAOYSA-O
XLogP1.87
TPSA22.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
3-methoxy-5-methylbenzenethiol
CID 22504719
(3-methoxy-5-methylphenyl)-methyl-oxoazanium
CID 123749235
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
CID 87072267
ethane;1-methoxy-3-methyl-5-methylsulfanylbenzene
CID 143780161
O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117278815
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-tert-butyl-5-methoxy-7-methylazulene
CID 165372127
ditert-butyl-(3-methoxy-5-methylphenyl)phosphane
CID 118501545
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
1-methoxy-3-methyl-5-[(Z)-prop-1-enyl]benzene
CID 89073542

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-methylphenyl)-methyloxidanium?
The IUPAC name of (3-methoxy-5-methylphenyl)-methyloxidanium (CID 143118319) is (3-methoxy-5-methylphenyl)-methyloxidanium.
What is the SMILES notation for (3-methoxy-5-methylphenyl)-methyloxidanium?
The canonical SMILES for (3-methoxy-5-methylphenyl)-methyloxidanium is COc1cc(C)cc([OH+]C)c1.
What is the InChIKey of (3-methoxy-5-methylphenyl)-methyloxidanium?
The InChIKey is RIZBLVRXRWHLFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3/p+1.
What are the key properties of (3-methoxy-5-methylphenyl)-methyloxidanium?
(3-methoxy-5-methylphenyl)-methyloxidanium has a molecular weight of 153.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-methylphenyl)-methyloxidanium is sourced from PubChem (CID 143118319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).