methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene

C22H26O — CID 160612603

IUPACmethane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
SMILESC.COc1ccc(C)cc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12.C8H10O.CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-3-5-8(9-2)6-4-7;/h2-10H,1H3;3-6H,1-2H3;1H4
InChIKeyRFRJFEXWEDVNGA-UHFFFAOYSA-N
MW306.45 g/mol
LogP6.30
Rot. Bonds2

About methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene

methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene (PubChem CID 160612603) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Namemethane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
PubChem CID160612603
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Namemethane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
SMILESC.COc1ccc(C)cc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12.C8H10O.CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-3-5-8(9-2)6-4-7;/h2-10H,1H3;3-6H,1-2H3;1H4
InChIKeyRFRJFEXWEDVNGA-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
anisole;ethane;methane;toluene
CID 162203446
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
1-methoxy-4-methylbenzene;phenol
CID 167630836
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene?
The IUPAC name of methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene (CID 160612603) is methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene.
What is the SMILES notation for methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene?
The canonical SMILES for methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene is C.COc1ccc(C)cc1.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene?
The InChIKey is RFRJFEXWEDVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C8H10O.CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-3-5-8(9-2)6-4-7;/h2-10H,1H3;3-6H,1-2H3;1H4.
What are the key properties of methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene?
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene has a molecular weight of 306.45 g/mol, XLogP of 6.30, 2 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;1-methyl-4-phenylbenzene is sourced from PubChem (CID 160612603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).