4-[(2S)-2-methylbutoxy]phenol

C11H16O2 — CID 1490310

IUPAC4-[(2S)-2-methylbutoxy]phenol
SMILESCC[C@H](C)COc1ccc(O)cc1
InChIInChI=1S/C11H16O2/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyGCQBIYCSSJYFJX-VIFPVBQESA-N
MW180.25 g/mol
LogP2.82
Rot. Bonds4

About 4-[(2S)-2-methylbutoxy]phenol

4-[(2S)-2-methylbutoxy]phenol (PubChem CID 1490310) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(2S)-2-methylbutoxy]phenol.

Molecular Properties

Compound Name4-[(2S)-2-methylbutoxy]phenol
PubChem CID1490310
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-[(2S)-2-methylbutoxy]phenol
SMILESCC[C@H](C)COc1ccc(O)cc1
InChIInChI=1S/C11H16O2/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyGCQBIYCSSJYFJX-VIFPVBQESA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylbutoxy)phenyl]boronic acid
CID 62104576
[4-(2-methylbutoxy)phenyl] propanoate
CID 174669628
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
2-[4,6-bis[2-hydroxy-4-(2-methylbutoxy)phenyl]-1,3,5-triazin-2-yl]-5-(2-methylbutoxy)phenol
CID 135611720
methyl 4-(2-methylbutoxy)benzoate
CID 18342003
4-(2,3-difluorobutoxy)phenol
CID 67187369
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
4-[6-methyl-7-[4-(6-methylheptoxy)phenoxy]heptoxy]phenol
CID 11259293
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
(4-hydroxyphenyl) 2-methylbutanoate
CID 14573373
[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
CID 20667899

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methylbutoxy]phenol?
The IUPAC name of 4-[(2S)-2-methylbutoxy]phenol (CID 1490310) is 4-[(2S)-2-methylbutoxy]phenol.
What is the SMILES notation for 4-[(2S)-2-methylbutoxy]phenol?
The canonical SMILES for 4-[(2S)-2-methylbutoxy]phenol is CC[C@H](C)COc1ccc(O)cc1.
What is the InChIKey of 4-[(2S)-2-methylbutoxy]phenol?
The InChIKey is GCQBIYCSSJYFJX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16O2/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-[(2S)-2-methylbutoxy]phenol?
4-[(2S)-2-methylbutoxy]phenol has a molecular weight of 180.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methylbutoxy]phenol is sourced from PubChem (CID 1490310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).