2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol

C11H15NO2 — CID 137084913

IUPAC2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol
SMILESCC[C@@H](CO)/N=C/c1ccccc1O
InChIInChI=1S/C11H15NO2/c1-2-10(8-13)12-7-9-5-3-4-6-11(9)14/h3-7,10,13-14H,2,8H2,1H3/b12-7+/t10-/m0/s1
InChIKeySMUHKGWCDKIVFJ-QVIVLVACSA-N
MW193.25 g/mol
LogP1.58
Rot. Bonds4

About 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol

2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol (PubChem CID 137084913) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol
PubChem CID137084913
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol
SMILESCC[C@@H](CO)/N=C/c1ccccc1O
InChIInChI=1S/C11H15NO2/c1-2-10(8-13)12-7-9-5-3-4-6-11(9)14/h3-7,10,13-14H,2,8H2,1H3/b12-7+/t10-/m0/s1
InChIKeySMUHKGWCDKIVFJ-QVIVLVACSA-N
XLogP1.58
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol?
The IUPAC name of 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol (CID 137084913) is 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol is CC[C@@H](CO)/N=C/c1ccccc1O.
What is the InChIKey of 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol?
The InChIKey is SMUHKGWCDKIVFJ-QVIVLVACSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-10(8-13)12-7-9-5-3-4-6-11(9)14/h3-7,10,13-14H,2,8H2,1H3/b12-7+/t10-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol?
2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol has a molecular weight of 193.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 137084913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).