4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol

C10H14O2 — CID 10797243

IUPAC4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol
SMILES[2H][C@H](Cc1ccc(O)cc1)[C@H](O)C([2H])([2H])[2H]
InChIInChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3/t8-/m1/s1/i1D3,2D/t2-,8-
InChIKeySFUCGABQOMYVJW-AGUJWVIXSA-N
MW170.24 g/mol
LogP1.71
Rot. Bonds4

About 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol

4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol (PubChem CID 10797243) has the molecular formula C10H14O2 and a molecular weight of 170.24 g/mol. Its IUPAC name is 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol.

Molecular Properties

Compound Name4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol
PubChem CID10797243
Molecular FormulaC10H14O2
Molecular Weight170.24 g/mol
Exact Mass170.12
IUPAC Name4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol
SMILES[2H][C@H](Cc1ccc(O)cc1)[C@H](O)C([2H])([2H])[2H]
InChIInChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3/t8-/m1/s1/i1D3,2D/t2-,8-
InChIKeySFUCGABQOMYVJW-AGUJWVIXSA-N
XLogP1.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol
CID 169441539
4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride
CID 131708485
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
lithium;4-butylphenol;hydride
CID 174758234
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
CID 66769730
4-(4-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026692
4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
CID 66690172
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol?
The IUPAC name of 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol (CID 10797243) is 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol.
What is the SMILES notation for 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol?
The canonical SMILES for 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol is [2H][C@H](Cc1ccc(O)cc1)[C@H](O)C([2H])([2H])[2H].
What is the InChIKey of 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol?
The InChIKey is SFUCGABQOMYVJW-AGUJWVIXSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3/t8-/m1/s1/i1D3,2D/t2-,8-.
What are the key properties of 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol?
4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol has a molecular weight of 170.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-2,4,4,4-tetradeuterio-3-hydroxybutyl]phenol is sourced from PubChem (CID 10797243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).