ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol

C16H30O2 — CID 177334034

IUPACethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol
SMILESCC.CC.Cc1ccc(C(C)(C)OCCO)cc1
InChIInChI=1S/C12H18O2.2C2H6/c1-10-4-6-11(7-5-10)12(2,3)14-9-8-13;2*1-2/h4-7,13H,8-9H2,1-3H3;2*1-2H3
InChIKeyXXEYSBQZJXQVAP-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.29
Rot. Bonds4

About ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol

ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol (PubChem CID 177334034) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol.

Molecular Properties

Compound Nameethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol
PubChem CID177334034
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol
SMILESCC.CC.Cc1ccc(C(C)(C)OCCO)cc1
InChIInChI=1S/C12H18O2.2C2H6/c1-10-4-6-11(7-5-10)12(2,3)14-9-8-13;2*1-2/h4-7,13H,8-9H2,1-3H3;2*1-2H3
InChIKeyXXEYSBQZJXQVAP-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol
CID 143729233
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 171512659
1,4-bis(2-ethoxypropan-2-yl)benzene
CID 54144220
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
CID 139725286
1-tert-butyl-4-methylbenzene
CID 163486601
2,2-difluoro-2-(4-methylphenyl)ethanol;ethane
CID 143007917
4-[2-[4-[2-[4-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]butane-2,2-diol
CID 155425959
1-[1-bromo-2-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]-4-methylbenzene
CID 112592553
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058
2-(ethylamino)-2-(4-methylphenyl)propan-1-ol
CID 61048119
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol?
The IUPAC name of ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol (CID 177334034) is ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol.
What is the SMILES notation for ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol?
The canonical SMILES for ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol is CC.CC.Cc1ccc(C(C)(C)OCCO)cc1.
What is the InChIKey of ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol?
The InChIKey is XXEYSBQZJXQVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.2C2H6/c1-10-4-6-11(7-5-10)12(2,3)14-9-8-13;2*1-2/h4-7,13H,8-9H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol?
ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol has a molecular weight of 254.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol is sourced from PubChem (CID 177334034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).