2-methylpropan-2-ol;1-phenylethanol

C12H20O2 — CID 160949043

IUPAC2-methylpropan-2-ol;1-phenylethanol
SMILESCC(C)(C)O.CC(O)c1ccccc1
InChIInChI=1S/C8H10O.C4H10O/c1-7(9)8-5-3-2-4-6-8;1-4(2,3)5/h2-7,9H,1H3;5H,1-3H3
InChIKeySVMXJBYZGDODOG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.52
Rot. Bonds1

About 2-methylpropan-2-ol;1-phenylethanol

2-methylpropan-2-ol;1-phenylethanol (PubChem CID 160949043) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methylpropan-2-ol;1-phenylethanol.

Molecular Properties

Compound Name2-methylpropan-2-ol;1-phenylethanol
PubChem CID160949043
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-methylpropan-2-ol;1-phenylethanol
SMILESCC(C)(C)O.CC(O)c1ccccc1
InChIInChI=1S/C8H10O.C4H10O/c1-7(9)8-5-3-2-4-6-8;1-4(2,3)5/h2-7,9H,1H3;5H,1-3H3
InChIKeySVMXJBYZGDODOG-UHFFFAOYSA-N
XLogP2.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
(1S)-1-phenylethanol
CID 157125626
azane;(1R)-1-phenylethanol
CID 126646564
carbanide;(1R)-1-phenylethanol;zinc
CID 177390370
nitric acid;1-phenylethanol
CID 67855225
2-amino-3-phenylbutan-2-ol
CID 68615274
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
2,2,2-trideuterio-1-phenylethanol
CID 15618819
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
4,4-dimethyl-3-phenylpentan-2-ol
CID 91224802
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78930168

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-ol;1-phenylethanol?
The IUPAC name of 2-methylpropan-2-ol;1-phenylethanol (CID 160949043) is 2-methylpropan-2-ol;1-phenylethanol.
What is the SMILES notation for 2-methylpropan-2-ol;1-phenylethanol?
The canonical SMILES for 2-methylpropan-2-ol;1-phenylethanol is CC(C)(C)O.CC(O)c1ccccc1.
What is the InChIKey of 2-methylpropan-2-ol;1-phenylethanol?
The InChIKey is SVMXJBYZGDODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H10O/c1-7(9)8-5-3-2-4-6-8;1-4(2,3)5/h2-7,9H,1H3;5H,1-3H3.
What are the key properties of 2-methylpropan-2-ol;1-phenylethanol?
2-methylpropan-2-ol;1-phenylethanol has a molecular weight of 196.29 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-ol;1-phenylethanol is sourced from PubChem (CID 160949043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).