methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene

C25H34O2 — CID 162159087

IUPACmethane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
SMILESC.C.Cc1ccc(C)cc1.Cc1ccccc1OCOc1ccccc1C
InChIInChI=1S/C15H16O2.C8H10.2CH4/c1-12-7-3-5-9-14(12)16-11-17-15-10-6-4-8-13(15)2;1-7-3-5-8(2)6-4-7;;/h3-10H,11H2,1-2H3;3-6H,1-2H3;2*1H4
InChIKeyZMFOXFGBALIKAR-UHFFFAOYSA-N
MW366.55 g/mol
LogP7.29
Rot. Bonds4

About methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene

methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene (PubChem CID 162159087) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene.

Molecular Properties

Compound Namemethane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
PubChem CID162159087
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Namemethane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
SMILESC.C.Cc1ccc(C)cc1.Cc1ccccc1OCOc1ccccc1C
InChIInChI=1S/C15H16O2.C8H10.2CH4/c1-12-7-3-5-9-14(12)16-11-17-15-10-6-4-8-13(15)2;1-7-3-5-8(2)6-4-7;;/h3-10H,11H2,1-2H3;3-6H,1-2H3;2*1H4
InChIKeyZMFOXFGBALIKAR-UHFFFAOYSA-N
XLogP7.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(2-methylphenoxy)methoxy]benzene
CID 59416592
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
CID 101341939
ethene;(2-methylphenoxy)methanamine
CID 174405951
S-(4-methylphenyl) 2-(2-methylphenoxy)ethanethioate
CID 800081
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
tris(2-methylphenoxy)-(4-methylphenyl)phosphanium
CID 174390321
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene?
The IUPAC name of methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene (CID 162159087) is methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene.
What is the SMILES notation for methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene?
The canonical SMILES for methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene is C.C.Cc1ccc(C)cc1.Cc1ccccc1OCOc1ccccc1C.
What is the InChIKey of methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene?
The InChIKey is ZMFOXFGBALIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C8H10.2CH4/c1-12-7-3-5-9-14(12)16-11-17-15-10-6-4-8-13(15)2;1-7-3-5-8(2)6-4-7;;/h3-10H,11H2,1-2H3;3-6H,1-2H3;2*1H4.
What are the key properties of methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene?
methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene has a molecular weight of 366.55 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene is sourced from PubChem (CID 162159087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).