ethane;3-ethyl-4-methylphenol;2-methylbutane;propane

C19H38O — CID 142020100

IUPACethane;3-ethyl-4-methylphenol;2-methylbutane;propane
SMILESCC.CCC.CCC(C)C.CCc1cc(O)ccc1C
InChIInChI=1S/C9H12O.C5H12.C3H8.C2H6/c1-3-8-6-9(10)5-4-7(8)2;1-4-5(2)3;1-3-2;1-2/h4-6,10H,3H2,1-2H3;5H,4H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyXJJTVRAEXCOWMO-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.76
Rot. Bonds2

About ethane;3-ethyl-4-methylphenol;2-methylbutane;propane

ethane;3-ethyl-4-methylphenol;2-methylbutane;propane (PubChem CID 142020100) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is ethane;3-ethyl-4-methylphenol;2-methylbutane;propane.

Molecular Properties

Compound Nameethane;3-ethyl-4-methylphenol;2-methylbutane;propane
PubChem CID142020100
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Nameethane;3-ethyl-4-methylphenol;2-methylbutane;propane
SMILESCC.CCC.CCC(C)C.CCc1cc(O)ccc1C
InChIInChI=1S/C9H12O.C5H12.C3H8.C2H6/c1-3-8-6-9(10)5-4-7(8)2;1-4-5(2)3;1-3-2;1-2/h4-6,10H,3H2,1-2H3;5H,4H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyXJJTVRAEXCOWMO-UHFFFAOYSA-N
XLogP6.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-4-methylphenol;2-methylhexane
CID 142056802
3-[(3S)-3-aminobutyl]-4-methylphenol
CID 130741104
3-(3-aminobutyl)-4-methylphenol
CID 130001431
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
butan-2-one;ethane;4-ethyl-1,2-dimethylbenzene;2-methylbutane
CID 142121166
butane;2-methylbutane;4-methylphenol
CID 155694307
1-(2,5-dimethylphenyl)-4-methylpentan-2-one
CID 61481922
4-butan-2-yl-3-methylphenol
CID 21413615
4-methyl-3-(2,2,2-trifluoroethyl)phenol
CID 16756490
4-ethylbenzene-1,3-diol
CID 17927
2-(2-ethyl-4-hydroxyphenyl)sulfanylacetaldehyde
CID 89173612
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4-methylphenol;2-methylbutane;propane?
The IUPAC name of ethane;3-ethyl-4-methylphenol;2-methylbutane;propane (CID 142020100) is ethane;3-ethyl-4-methylphenol;2-methylbutane;propane.
What is the SMILES notation for ethane;3-ethyl-4-methylphenol;2-methylbutane;propane?
The canonical SMILES for ethane;3-ethyl-4-methylphenol;2-methylbutane;propane is CC.CCC.CCC(C)C.CCc1cc(O)ccc1C.
What is the InChIKey of ethane;3-ethyl-4-methylphenol;2-methylbutane;propane?
The InChIKey is XJJTVRAEXCOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C5H12.C3H8.C2H6/c1-3-8-6-9(10)5-4-7(8)2;1-4-5(2)3;1-3-2;1-2/h4-6,10H,3H2,1-2H3;5H,4H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-4-methylphenol;2-methylbutane;propane?
ethane;3-ethyl-4-methylphenol;2-methylbutane;propane has a molecular weight of 282.51 g/mol, XLogP of 6.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4-methylphenol;2-methylbutane;propane is sourced from PubChem (CID 142020100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).