anisole;ethane;4-ethylphenol;2-methylpropane

C23H40O2 — CID 169174728

IUPACanisole;ethane;4-ethylphenol;2-methylpropane
SMILESCC.CC.CC(C)C.CCc1ccc(O)cc1.COc1ccccc1
InChIInChI=1S/C8H10O.C7H8O.C4H10.2C2H6/c1-2-7-3-5-8(9)6-4-7;1-8-7-5-3-2-4-6-7;1-4(2)3;2*1-2/h3-6,9H,2H2,1H3;2-6H,1H3;4H,1-3H3;2*1-2H3
InChIKeyVANXEDURYGSVFV-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.36
Rot. Bonds2

About anisole;ethane;4-ethylphenol;2-methylpropane

anisole;ethane;4-ethylphenol;2-methylpropane (PubChem CID 169174728) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is anisole;ethane;4-ethylphenol;2-methylpropane.

Molecular Properties

Compound Nameanisole;ethane;4-ethylphenol;2-methylpropane
PubChem CID169174728
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Nameanisole;ethane;4-ethylphenol;2-methylpropane
SMILESCC.CC.CC(C)C.CCc1ccc(O)cc1.COc1ccccc1
InChIInChI=1S/C8H10O.C7H8O.C4H10.2C2H6/c1-2-7-3-5-8(9)6-4-7;1-8-7-5-3-2-4-6-7;1-4(2)3;2*1-2/h3-6,9H,2H2,1H3;2-6H,1H3;4H,1-3H3;2*1-2H3
InChIKeyVANXEDURYGSVFV-UHFFFAOYSA-N
XLogP7.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anisole;ethane;4-ethylphenol;2-methylpropane?
The IUPAC name of anisole;ethane;4-ethylphenol;2-methylpropane (CID 169174728) is anisole;ethane;4-ethylphenol;2-methylpropane.
What is the SMILES notation for anisole;ethane;4-ethylphenol;2-methylpropane?
The canonical SMILES for anisole;ethane;4-ethylphenol;2-methylpropane is CC.CC.CC(C)C.CCc1ccc(O)cc1.COc1ccccc1.
What is the InChIKey of anisole;ethane;4-ethylphenol;2-methylpropane?
The InChIKey is VANXEDURYGSVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C7H8O.C4H10.2C2H6/c1-2-7-3-5-8(9)6-4-7;1-8-7-5-3-2-4-6-7;1-4(2)3;2*1-2/h3-6,9H,2H2,1H3;2-6H,1H3;4H,1-3H3;2*1-2H3.
What are the key properties of anisole;ethane;4-ethylphenol;2-methylpropane?
anisole;ethane;4-ethylphenol;2-methylpropane has a molecular weight of 348.57 g/mol, XLogP of 7.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;4-ethylphenol;2-methylpropane is sourced from PubChem (CID 169174728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).