1-methoxy-4-phenylbenzene;methyloxidanium

C14H17O2+ — CID 144616924

IUPAC1-methoxy-4-phenylbenzene;methyloxidanium
SMILESCOc1ccc(-c2ccccc2)cc1.C[OH2+]
InChIInChI=1S/C13H12O.CH4O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2/h2-10H,1H3;2H,1H3/p+1
InChIKeyRPMDILXHPYGXHC-UHFFFAOYSA-O
MW217.29 g/mol
LogP2.70
Rot. Bonds2

About 1-methoxy-4-phenylbenzene;methyloxidanium

1-methoxy-4-phenylbenzene;methyloxidanium (PubChem CID 144616924) has the molecular formula C14H17O2+ and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-methoxy-4-phenylbenzene;methyloxidanium.

Molecular Properties

Compound Name1-methoxy-4-phenylbenzene;methyloxidanium
PubChem CID144616924
Molecular FormulaC14H17O2+
Molecular Weight217.29 g/mol
Exact Mass217.12
IUPAC Name1-methoxy-4-phenylbenzene;methyloxidanium
SMILESCOc1ccc(-c2ccccc2)cc1.C[OH2+]
InChIInChI=1S/C13H12O.CH4O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2/h2-10H,1H3;2H,1H3/p+1
InChIKeyRPMDILXHPYGXHC-UHFFFAOYSA-O
XLogP2.70
TPSA32.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.70
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

Anethole
CID 637563
Bisphenol A
CID 6623
Estragole
CID 8815
Methoxychlor
CID 4115
Hexestrol
CID 192197
4,4'-Dihydroxybiphenyl
CID 7112
Etofenprox
CID 71245
Chlorotrianisene
CID 11289
4-Methoxybenzyl alcohol
CID 7738
4-Methylanisole
CID 7731
2-Methoxynaphthalene
CID 7119
Terameprocol
CID 476861

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-phenylbenzene;methyloxidanium?
The IUPAC name of 1-methoxy-4-phenylbenzene;methyloxidanium (CID 144616924) is 1-methoxy-4-phenylbenzene;methyloxidanium.
What is the SMILES notation for 1-methoxy-4-phenylbenzene;methyloxidanium?
The canonical SMILES for 1-methoxy-4-phenylbenzene;methyloxidanium is COc1ccc(-c2ccccc2)cc1.C[OH2+].
What is the InChIKey of 1-methoxy-4-phenylbenzene;methyloxidanium?
The InChIKey is RPMDILXHPYGXHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12O.CH4O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2/h2-10H,1H3;2H,1H3/p+1.
What are the key properties of 1-methoxy-4-phenylbenzene;methyloxidanium?
1-methoxy-4-phenylbenzene;methyloxidanium has a molecular weight of 217.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-phenylbenzene;methyloxidanium is sourced from PubChem (CID 144616924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).