anisole;ethane;ethylbenzene;toluene

C26H38O — CID 91215230

IUPACanisole;ethane;ethylbenzene;toluene
SMILESCC.CC.CCc1ccccc1.COc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H10.C7H8O.C7H8.2C2H6/c1-2-8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;2*1-2/h3-7H,2H2,1H3;2-6H,1H3;2-6H,1H3;2*1-2H3
InChIKeyMZVFDRBILVNNQQ-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.99
Rot. Bonds2

About anisole;ethane;ethylbenzene;toluene

anisole;ethane;ethylbenzene;toluene (PubChem CID 91215230) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is anisole;ethane;ethylbenzene;toluene.

Molecular Properties

Compound Nameanisole;ethane;ethylbenzene;toluene
PubChem CID91215230
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Nameanisole;ethane;ethylbenzene;toluene
SMILESCC.CC.CCc1ccccc1.COc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H10.C7H8O.C7H8.2C2H6/c1-2-8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;2*1-2/h3-7H,2H2,1H3;2-6H,1H3;2-6H,1H3;2*1-2H3
InChIKeyMZVFDRBILVNNQQ-UHFFFAOYSA-N
XLogP7.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;ethylbenzene;toluene
CID 159408087
anisole;ethane;methane;toluene
CID 162203446
anisole;ethane;methoxymethane;toluene
CID 91157363
ethylbenzene;methane;propane;toluene
CID 159984760
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
ethane;ethylbenzene;methoxymethane
CID 91307642
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998
ethylbenzene;methylsulfanylmethane;toluene
CID 91366881
ethane;ethylbenzene
CID 90887003
anisole;ethane;4-ethylphenol;2-methylpropane
CID 169174728
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021

Frequently Asked Questions

What is the IUPAC name of anisole;ethane;ethylbenzene;toluene?
The IUPAC name of anisole;ethane;ethylbenzene;toluene (CID 91215230) is anisole;ethane;ethylbenzene;toluene.
What is the SMILES notation for anisole;ethane;ethylbenzene;toluene?
The canonical SMILES for anisole;ethane;ethylbenzene;toluene is CC.CC.CCc1ccccc1.COc1ccccc1.Cc1ccccc1.
What is the InChIKey of anisole;ethane;ethylbenzene;toluene?
The InChIKey is MZVFDRBILVNNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H8O.C7H8.2C2H6/c1-2-8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;2*1-2/h3-7H,2H2,1H3;2-6H,1H3;2-6H,1H3;2*1-2H3.
What are the key properties of anisole;ethane;ethylbenzene;toluene?
anisole;ethane;ethylbenzene;toluene has a molecular weight of 366.59 g/mol, XLogP of 7.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;ethylbenzene;toluene is sourced from PubChem (CID 91215230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).