1-methoxy-4-methylbenzene tritetrafluoroborate

C8H10B3F12O-3 — CID 175186018

IUPAC1-methoxy-4-methylbenzene tritetrafluoroborate
SMILESCOc1ccc(C)cc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H10O.3BF4/c1-7-3-5-8(9-2)6-4-7;3*2-1(3,4)5/h3-6H,1-2H3;;;/q;3*-1
InChIKeyJECMDUSANQKJOP-UHFFFAOYSA-N
MW382.58 g/mol
LogP5.90
Rot. Bonds1

About 1-methoxy-4-methylbenzene tritetrafluoroborate

1-methoxy-4-methylbenzene tritetrafluoroborate (PubChem CID 175186018) has the molecular formula C8H10B3F12O-3 and a molecular weight of 382.58 g/mol. Its IUPAC name is 1-methoxy-4-methylbenzene tritetrafluoroborate.

Molecular Properties

Compound Name1-methoxy-4-methylbenzene tritetrafluoroborate
PubChem CID175186018
Molecular FormulaC8H10B3F12O-3
Molecular Weight382.58 g/mol
Exact Mass383.08
IUPAC Name1-methoxy-4-methylbenzene tritetrafluoroborate
SMILESCOc1ccc(C)cc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H10O.3BF4/c1-7-3-5-8(9-2)6-4-7;3*2-1(3,4)5/h3-6H,1-2H3;;;/q;3*-1
InChIKeyJECMDUSANQKJOP-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.58
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(113C)methoxy-4-methylbenzene
CID 166176950
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
4-methoxyphenol;4-methylphenol
CID 158312507
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbenzene tritetrafluoroborate?
The IUPAC name of 1-methoxy-4-methylbenzene tritetrafluoroborate (CID 175186018) is 1-methoxy-4-methylbenzene tritetrafluoroborate.
What is the SMILES notation for 1-methoxy-4-methylbenzene tritetrafluoroborate?
The canonical SMILES for 1-methoxy-4-methylbenzene tritetrafluoroborate is COc1ccc(C)cc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of 1-methoxy-4-methylbenzene tritetrafluoroborate?
The InChIKey is JECMDUSANQKJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.3BF4/c1-7-3-5-8(9-2)6-4-7;3*2-1(3,4)5/h3-6H,1-2H3;;;/q;3*-1.
What are the key properties of 1-methoxy-4-methylbenzene tritetrafluoroborate?
1-methoxy-4-methylbenzene tritetrafluoroborate has a molecular weight of 382.58 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylbenzene tritetrafluoroborate is sourced from PubChem (CID 175186018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).