methane;1-(methoxymethyl)-4-methylbenzene

C13H28O — CID 158294039

IUPACmethane;1-(methoxymethyl)-4-methylbenzene
SMILESC.C.C.C.COCc1ccc(C)cc1
InChIInChI=1S/C9H12O.4CH4/c1-8-3-5-9(6-4-8)7-10-2;;;;/h3-6H,7H2,1-2H3;4*1H4
InChIKeyGLRQRMBRQWBNGM-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.69
Rot. Bonds2

About methane;1-(methoxymethyl)-4-methylbenzene

methane;1-(methoxymethyl)-4-methylbenzene (PubChem CID 158294039) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is methane;1-(methoxymethyl)-4-methylbenzene.

Molecular Properties

Compound Namemethane;1-(methoxymethyl)-4-methylbenzene
PubChem CID158294039
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Namemethane;1-(methoxymethyl)-4-methylbenzene
SMILESC.C.C.C.COCc1ccc(C)cc1
InChIInChI=1S/C9H12O.4CH4/c1-8-3-5-9(6-4-8)7-10-2;;;;/h3-6H,7H2,1-2H3;4*1H4
InChIKeyGLRQRMBRQWBNGM-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
1-(iodomethoxymethyl)-4-methylbenzene
CID 146521641
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126
(4-methylphenyl)methyl hypochlorite
CID 174764062
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376

Frequently Asked Questions

What is the IUPAC name of methane;1-(methoxymethyl)-4-methylbenzene?
The IUPAC name of methane;1-(methoxymethyl)-4-methylbenzene (CID 158294039) is methane;1-(methoxymethyl)-4-methylbenzene.
What is the SMILES notation for methane;1-(methoxymethyl)-4-methylbenzene?
The canonical SMILES for methane;1-(methoxymethyl)-4-methylbenzene is C.C.C.C.COCc1ccc(C)cc1.
What is the InChIKey of methane;1-(methoxymethyl)-4-methylbenzene?
The InChIKey is GLRQRMBRQWBNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.4CH4/c1-8-3-5-9(6-4-8)7-10-2;;;;/h3-6H,7H2,1-2H3;4*1H4.
What are the key properties of methane;1-(methoxymethyl)-4-methylbenzene?
methane;1-(methoxymethyl)-4-methylbenzene has a molecular weight of 200.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(methoxymethyl)-4-methylbenzene is sourced from PubChem (CID 158294039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).