ethane;2-ethyl-5-methylphenol

C11H18O — CID 142001660

IUPACethane;2-ethyl-5-methylphenol
SMILESCC.CCc1ccc(C)cc1O
InChIInChI=1S/C9H12O.C2H6/c1-3-8-5-4-7(2)6-9(8)10;1-2/h4-6,10H,3H2,1-2H3;1-2H3
InChIKeyRNUQDCGIBGEXOQ-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.29
Rot. Bonds1

About ethane;2-ethyl-5-methylphenol

ethane;2-ethyl-5-methylphenol (PubChem CID 142001660) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is ethane;2-ethyl-5-methylphenol.

Molecular Properties

Compound Nameethane;2-ethyl-5-methylphenol
PubChem CID142001660
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nameethane;2-ethyl-5-methylphenol
SMILESCC.CCc1ccc(C)cc1O
InChIInChI=1S/C9H12O.C2H6/c1-3-8-5-4-7(2)6-9(8)10;1-2/h4-6,10H,3H2,1-2H3;1-2H3
InChIKeyRNUQDCGIBGEXOQ-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethylbenzene-1,3-diol
CID 17927
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-(ethylsulfanylmethyl)-5-methylphenol
CID 14452460
2-ethylphenol;1,3-xylene
CID 174948528
(2-hydroxy-4-methylphenyl)methylboronic acid
CID 57416355
5-(bromomethyl)-2-ethylphenol
CID 171653921
2-(2-aminoethyl)-5-methylphenol
CID 55254754
2-(hydroperoxymethyl)-5-methylphenol
CID 21351355
1-chloro-3-(2-hydroxy-4-methylphenyl)propan-2-one
CID 130895679
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-methylphenol?
The IUPAC name of ethane;2-ethyl-5-methylphenol (CID 142001660) is ethane;2-ethyl-5-methylphenol.
What is the SMILES notation for ethane;2-ethyl-5-methylphenol?
The canonical SMILES for ethane;2-ethyl-5-methylphenol is CC.CCc1ccc(C)cc1O.
What is the InChIKey of ethane;2-ethyl-5-methylphenol?
The InChIKey is RNUQDCGIBGEXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H6/c1-3-8-5-4-7(2)6-9(8)10;1-2/h4-6,10H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-5-methylphenol?
ethane;2-ethyl-5-methylphenol has a molecular weight of 166.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-methylphenol is sourced from PubChem (CID 142001660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).