2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium

C19H18NO+ — CID 170543584

IUPAC2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium
SMILESCOc1c(-c2ccccc2)cccc1-c1cccc[n+]1C
InChIInChI=1S/C19H18NO/c1-20-14-7-6-13-18(20)17-12-8-11-16(19(17)21-2)15-9-4-3-5-10-15/h3-14H,1-2H3/q+1
InChIKeyPVPCHWFBMPEQLK-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.85
Rot. Bonds3

About 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium

2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium (PubChem CID 170543584) has the molecular formula C19H18NO+ and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium
PubChem CID170543584
Molecular FormulaC19H18NO+
Molecular Weight276.36 g/mol
Exact Mass276.14
IUPAC Name2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium
SMILESCOc1c(-c2ccccc2)cccc1-c1cccc[n+]1C
InChIInChI=1S/C19H18NO/c1-20-14-7-6-13-18(20)17-12-8-11-16(19(17)21-2)15-9-4-3-5-10-15/h3-14H,1-2H3/q+1
InChIKeyPVPCHWFBMPEQLK-UHFFFAOYSA-N
XLogP3.85
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1,3-diphenylbenzene
CID 23524590
2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium
CID 10482035
1-iodo-2-methoxy-3-phenylbenzene
CID 164896113
1-methyl-5-(4-phenylphenyl)quinolin-1-ium
CID 56595767
2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
2-methoxy-3-phenylbenzonitrile
CID 91276072
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
(2-methoxy-3-phenylphenyl)-phenyldiazene
CID 21342365

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium (CID 170543584) is 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium is COc1c(-c2ccccc2)cccc1-c1cccc[n+]1C.
What is the InChIKey of 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium?
The InChIKey is PVPCHWFBMPEQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NO/c1-20-14-7-6-13-18(20)17-12-8-11-16(19(17)21-2)15-9-4-3-5-10-15/h3-14H,1-2H3/q+1.
What are the key properties of 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium?
2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium has a molecular weight of 276.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 170543584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).