2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol

C13H19NO2 — CID 137105568

IUPAC2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
SMILESCC(C)C[C@H](CO)/N=C/c1ccccc1O
InChIInChI=1S/C13H19NO2/c1-10(2)7-12(9-15)14-8-11-5-3-4-6-13(11)16/h3-6,8,10,12,15-16H,7,9H2,1-2H3/b14-8+/t12-/m1/s1
InChIKeyZYHNHNZCHAHGTR-ZBQKXELDSA-N
MW221.30 g/mol
LogP2.22
Rot. Bonds5

About 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol

2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol (PubChem CID 137105568) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
PubChem CID137105568
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
SMILESCC(C)C[C@H](CO)/N=C/c1ccccc1O
InChIInChI=1S/C13H19NO2/c1-10(2)7-12(9-15)14-8-11-5-3-4-6-13(11)16/h3-6,8,10,12,15-16H,7,9H2,1-2H3/b14-8+/t12-/m1/s1
InChIKeyZYHNHNZCHAHGTR-ZBQKXELDSA-N
XLogP2.22
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
CID 136632189
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
2-[2-[(2-hydroxyphenyl)methylideneamino]pent-4-enyliminomethyl]phenol
CID 135406449
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857
2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
CID 166437320
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol
CID 145079806
2-[1-[1-(2-hydroxyphenyl)ethylideneamino]propan-2-yliminomethyl]phenol
CID 136707520

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol?
The IUPAC name of 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol (CID 137105568) is 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol is CC(C)C[C@H](CO)/N=C/c1ccccc1O.
What is the InChIKey of 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol?
The InChIKey is ZYHNHNZCHAHGTR-ZBQKXELDSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)7-12(9-15)14-8-11-5-3-4-6-13(11)16/h3-6,8,10,12,15-16H,7,9H2,1-2H3/b14-8+/t12-/m1/s1.
What are the key properties of 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol?
2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 137105568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).