methane;1-methoxy-4-methylbenzene;propane;1,2-xylene

C25H48O — CID 158575939

IUPACmethane;1-methoxy-4-methylbenzene;propane;1,2-xylene
SMILESC.C.C.CCC.CCC.COc1ccc(C)cc1.Cc1ccccc1C
InChIInChI=1S/C8H10O.C8H10.2C3H8.3CH4/c1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)2;2*1-3-2;;;/h3-6H,1-2H3;3-6H,1-2H3;2*3H2,1-2H3;3*1H4
InChIKeyHSQTVOUOLIYZHJ-UHFFFAOYSA-N
MW364.66 g/mol
LogP9.05
Rot. Bonds1

About methane;1-methoxy-4-methylbenzene;propane;1,2-xylene

methane;1-methoxy-4-methylbenzene;propane;1,2-xylene (PubChem CID 158575939) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is methane;1-methoxy-4-methylbenzene;propane;1,2-xylene.

Molecular Properties

Compound Namemethane;1-methoxy-4-methylbenzene;propane;1,2-xylene
PubChem CID158575939
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Namemethane;1-methoxy-4-methylbenzene;propane;1,2-xylene
SMILESC.C.C.CCC.CCC.COc1ccc(C)cc1.Cc1ccccc1C
InChIInChI=1S/C8H10O.C8H10.2C3H8.3CH4/c1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)2;2*1-3-2;;;/h3-6H,1-2H3;3-6H,1-2H3;2*3H2,1-2H3;3*1H4
InChIKeyHSQTVOUOLIYZHJ-UHFFFAOYSA-N
XLogP9.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-methylbenzene;propane
CID 142064987
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
but-1-yne;1-methoxy-4-methylbenzene;toluene
CID 161112740
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
anisole;ethane;methoxymethane;toluene
CID 91157363
anisole;ethane;methane;toluene
CID 162203446

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-4-methylbenzene;propane;1,2-xylene?
The IUPAC name of methane;1-methoxy-4-methylbenzene;propane;1,2-xylene (CID 158575939) is methane;1-methoxy-4-methylbenzene;propane;1,2-xylene.
What is the SMILES notation for methane;1-methoxy-4-methylbenzene;propane;1,2-xylene?
The canonical SMILES for methane;1-methoxy-4-methylbenzene;propane;1,2-xylene is C.C.C.CCC.CCC.COc1ccc(C)cc1.Cc1ccccc1C.
What is the InChIKey of methane;1-methoxy-4-methylbenzene;propane;1,2-xylene?
The InChIKey is HSQTVOUOLIYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C8H10.2C3H8.3CH4/c1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)2;2*1-3-2;;;/h3-6H,1-2H3;3-6H,1-2H3;2*3H2,1-2H3;3*1H4.
What are the key properties of methane;1-methoxy-4-methylbenzene;propane;1,2-xylene?
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene has a molecular weight of 364.66 g/mol, XLogP of 9.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-4-methylbenzene;propane;1,2-xylene is sourced from PubChem (CID 158575939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).