ethane;phenol;2-propan-2-ylthiophene

C21H28O2S — CID 161233504

IUPACethane;phenol;2-propan-2-ylthiophene
SMILESCC.CC(C)c1cccs1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C7H10S.2C6H6O.C2H6/c1-6(2)7-4-3-5-8-7;2*7-6-4-2-1-3-5-6;1-2/h3-6H,1-2H3;2*1-5,7H;1-2H3
InChIKeyUZBKEQXOSYEHAZ-UHFFFAOYSA-N
MW344.52 g/mol
LogP6.68
Rot. Bonds1

About ethane;phenol;2-propan-2-ylthiophene

ethane;phenol;2-propan-2-ylthiophene (PubChem CID 161233504) has the molecular formula C21H28O2S and a molecular weight of 344.52 g/mol. Its IUPAC name is ethane;phenol;2-propan-2-ylthiophene.

Molecular Properties

Compound Nameethane;phenol;2-propan-2-ylthiophene
PubChem CID161233504
Molecular FormulaC21H28O2S
Molecular Weight344.52 g/mol
Exact Mass344.18
IUPAC Nameethane;phenol;2-propan-2-ylthiophene
SMILESCC.CC(C)c1cccs1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C7H10S.2C6H6O.C2H6/c1-6(2)7-4-3-5-8-7;2*7-6-4-2-1-3-5-6;1-2/h3-6H,1-2H3;2*1-5,7H;1-2H3
InChIKeyUZBKEQXOSYEHAZ-UHFFFAOYSA-N
XLogP6.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylthiophene
CID 178128598
ethane;phenol
CID 161156308
phenol;propan-2-ylphosphane
CID 142173645
cumene;2,3-dimethylbutane;propan-2-ylcyclopropane;2-propan-2-ylthiophene
CID 159329708
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
methane;phenol;bis(2-propan-2-ylphenol)
CID 162153244
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
phenol;titanium(2+)
CID 23042599
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
CID 67496590
CID 67496590
phenol;phosphane
CID 159689182

Frequently Asked Questions

What is the IUPAC name of ethane;phenol;2-propan-2-ylthiophene?
The IUPAC name of ethane;phenol;2-propan-2-ylthiophene (CID 161233504) is ethane;phenol;2-propan-2-ylthiophene.
What is the SMILES notation for ethane;phenol;2-propan-2-ylthiophene?
The canonical SMILES for ethane;phenol;2-propan-2-ylthiophene is CC.CC(C)c1cccs1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of ethane;phenol;2-propan-2-ylthiophene?
The InChIKey is UZBKEQXOSYEHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S.2C6H6O.C2H6/c1-6(2)7-4-3-5-8-7;2*7-6-4-2-1-3-5-6;1-2/h3-6H,1-2H3;2*1-5,7H;1-2H3.
What are the key properties of ethane;phenol;2-propan-2-ylthiophene?
ethane;phenol;2-propan-2-ylthiophene has a molecular weight of 344.52 g/mol, XLogP of 6.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenol;2-propan-2-ylthiophene is sourced from PubChem (CID 161233504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).