1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol

C12H18O3 — CID 78931116

IUPAC1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
SMILESC[C@H](O)c1ccccc1OCC(C)(C)O
InChIInChI=1S/C12H18O3/c1-9(13)10-6-4-5-7-11(10)15-8-12(2,3)14/h4-7,9,13-14H,8H2,1-3H3/t9-/m0/s1
InChIKeyBXLSSQPSAPUPGV-VIFPVBQESA-N
MW210.27 g/mol
LogP1.89
Rot. Bonds4

About 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol

1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol (PubChem CID 78931116) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
PubChem CID78931116
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
SMILESC[C@H](O)c1ccccc1OCC(C)(C)O
InChIInChI=1S/C12H18O3/c1-9(13)10-6-4-5-7-11(10)15-8-12(2,3)14/h4-7,9,13-14H,8H2,1-3H3/t9-/m0/s1
InChIKeyBXLSSQPSAPUPGV-VIFPVBQESA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78931763
4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
CID 79355173
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
CID 109416531
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 63366269

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol (CID 78931116) is 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol is C[C@H](O)c1ccccc1OCC(C)(C)O.
What is the InChIKey of 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol?
The InChIKey is BXLSSQPSAPUPGV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18O3/c1-9(13)10-6-4-5-7-11(10)15-8-12(2,3)14/h4-7,9,13-14H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol?
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 78931116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).