ethane;2-methylpropan-2-ol;1-phenylethanone

C14H24O2 — CID 91393199

IUPACethane;2-methylpropan-2-ol;1-phenylethanone
SMILESCC.CC(=O)c1ccccc1.CC(C)(C)O
InChIInChI=1S/C8H8O.C4H10O.C2H6/c1-7(9)8-5-3-2-4-6-8;1-4(2,3)5;1-2/h2-6H,1H3;5H,1-3H3;1-2H3
InChIKeyNDFYRBSZPOMZOH-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds1

About ethane;2-methylpropan-2-ol;1-phenylethanone

ethane;2-methylpropan-2-ol;1-phenylethanone (PubChem CID 91393199) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethane;2-methylpropan-2-ol;1-phenylethanone.

Molecular Properties

Compound Nameethane;2-methylpropan-2-ol;1-phenylethanone
PubChem CID91393199
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethane;2-methylpropan-2-ol;1-phenylethanone
SMILESCC.CC(=O)c1ccccc1.CC(C)(C)O
InChIInChI=1S/C8H8O.C4H10O.C2H6/c1-7(9)8-5-3-2-4-6-8;1-4(2,3)5;1-2/h2-6H,1H3;5H,1-3H3;1-2H3
InChIKeyNDFYRBSZPOMZOH-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
1-phenylethanone;hydrate;hydrochloride
CID 21258111
CID 173404741
CID 173404741
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropan-2-ol;1-phenylethanone?
The IUPAC name of ethane;2-methylpropan-2-ol;1-phenylethanone (CID 91393199) is ethane;2-methylpropan-2-ol;1-phenylethanone.
What is the SMILES notation for ethane;2-methylpropan-2-ol;1-phenylethanone?
The canonical SMILES for ethane;2-methylpropan-2-ol;1-phenylethanone is CC.CC(=O)c1ccccc1.CC(C)(C)O.
What is the InChIKey of ethane;2-methylpropan-2-ol;1-phenylethanone?
The InChIKey is NDFYRBSZPOMZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C4H10O.C2H6/c1-7(9)8-5-3-2-4-6-8;1-4(2,3)5;1-2/h2-6H,1H3;5H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropan-2-ol;1-phenylethanone?
ethane;2-methylpropan-2-ol;1-phenylethanone has a molecular weight of 224.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropan-2-ol;1-phenylethanone is sourced from PubChem (CID 91393199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).