(2R)-2-deuterio-4-phenylbutan-2-ol

C10H14O — CID 162415693

IUPAC(2R)-2-deuterio-4-phenylbutan-2-ol
SMILES[2H][C@](C)(O)CCc1ccccc1
InChIInChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1/i9D
InChIKeyGDWRKZLROIFUML-SFTFEADESA-N
MW151.23 g/mol
LogP2.00
Rot. Bonds3

About (2R)-2-deuterio-4-phenylbutan-2-ol

(2R)-2-deuterio-4-phenylbutan-2-ol (PubChem CID 162415693) has the molecular formula C10H14O and a molecular weight of 151.23 g/mol. Its IUPAC name is (2R)-2-deuterio-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-2-deuterio-4-phenylbutan-2-ol
PubChem CID162415693
Molecular FormulaC10H14O
Molecular Weight151.23 g/mol
Exact Mass151.11
IUPAC Name(2R)-2-deuterio-4-phenylbutan-2-ol
SMILES[2H][C@](C)(O)CCc1ccccc1
InChIInChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1/i9D
InChIKeyGDWRKZLROIFUML-SFTFEADESA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-phenylheptan-3-ol
CID 10420110
(2R)-4-phenylbutane-2-thiol
CID 28974861
ethene;3-methylbutylbenzene
CID 145421013
(2S)-4-phenylbutan-2-amine
CID 6994564
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
2-methyl-4-phenylbutanoic acid
CID 66896591
(1S)-1-(dimethylamino)-3-phenylpropan-1-ol
CID 54291399
3-phosphorosobutylbenzene
CID 165430186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-deuterio-4-phenylbutan-2-ol?
The IUPAC name of (2R)-2-deuterio-4-phenylbutan-2-ol (CID 162415693) is (2R)-2-deuterio-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-2-deuterio-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-2-deuterio-4-phenylbutan-2-ol is [2H][C@](C)(O)CCc1ccccc1.
What is the InChIKey of (2R)-2-deuterio-4-phenylbutan-2-ol?
The InChIKey is GDWRKZLROIFUML-SFTFEADESA-N. The full InChI is InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1/i9D.
What are the key properties of (2R)-2-deuterio-4-phenylbutan-2-ol?
(2R)-2-deuterio-4-phenylbutan-2-ol has a molecular weight of 151.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-deuterio-4-phenylbutan-2-ol is sourced from PubChem (CID 162415693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).