2,3-dimethylbutane-2,3-diol;1-phenylethanol

C14H24O3 — CID 67631199

IUPAC2,3-dimethylbutane-2,3-diol;1-phenylethanol
SMILESCC(C)(O)C(C)(C)O.CC(O)c1ccccc1
InChIInChI=1S/C8H10O.C6H14O2/c1-7(9)8-5-3-2-4-6-8;1-5(2,7)6(3,4)8/h2-7,9H,1H3;7-8H,1-4H3
InChIKeyDEDPPCDEQUHOSN-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.27
Rot. Bonds2

About 2,3-dimethylbutane-2,3-diol;1-phenylethanol

2,3-dimethylbutane-2,3-diol;1-phenylethanol (PubChem CID 67631199) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diol;1-phenylethanol.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diol;1-phenylethanol
PubChem CID67631199
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2,3-dimethylbutane-2,3-diol;1-phenylethanol
SMILESCC(C)(O)C(C)(C)O.CC(O)c1ccccc1
InChIInChI=1S/C8H10O.C6H14O2/c1-7(9)8-5-3-2-4-6-8;1-5(2,7)6(3,4)8/h2-7,9H,1H3;7-8H,1-4H3
InChIKeyDEDPPCDEQUHOSN-UHFFFAOYSA-N
XLogP2.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropan-2-ol;1-phenylethanol
CID 160949043
(1S)-1-phenylethanol
CID 157125626
azane;(1R)-1-phenylethanol
CID 126646564
carbanide;(1R)-1-phenylethanol;zinc
CID 177390370
nitric acid;1-phenylethanol
CID 67855225
2,3-dimethyl-1,1-diphenylbutane-2,3-diol
CID 141069653
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diol;1-phenylethanol?
The IUPAC name of 2,3-dimethylbutane-2,3-diol;1-phenylethanol (CID 67631199) is 2,3-dimethylbutane-2,3-diol;1-phenylethanol.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diol;1-phenylethanol?
The canonical SMILES for 2,3-dimethylbutane-2,3-diol;1-phenylethanol is CC(C)(O)C(C)(C)O.CC(O)c1ccccc1.
What is the InChIKey of 2,3-dimethylbutane-2,3-diol;1-phenylethanol?
The InChIKey is DEDPPCDEQUHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H14O2/c1-7(9)8-5-3-2-4-6-8;1-5(2,7)6(3,4)8/h2-7,9H,1H3;7-8H,1-4H3.
What are the key properties of 2,3-dimethylbutane-2,3-diol;1-phenylethanol?
2,3-dimethylbutane-2,3-diol;1-phenylethanol has a molecular weight of 240.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diol;1-phenylethanol is sourced from PubChem (CID 67631199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).