2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol

C16H17NO2 — CID 135598253

IUPAC2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol
SMILESCOc1ccccc1[C@@H](C)/N=C/c1ccccc1O
InChIInChI=1S/C16H17NO2/c1-12(14-8-4-6-10-16(14)19-2)17-11-13-7-3-5-9-15(13)18/h3-12,18H,1-2H3/b17-11+/t12-/m1/s1
InChIKeyLJIDIHROSMYLFY-PBSOMRJOSA-N
MW255.32 g/mol
LogP3.58
Rot. Bonds4

About 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol

2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol (PubChem CID 135598253) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol
PubChem CID135598253
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol
SMILESCOc1ccccc1[C@@H](C)/N=C/c1ccccc1O
InChIInChI=1S/C16H17NO2/c1-12(14-8-4-6-10-16(14)19-2)17-11-13-7-3-5-9-15(13)18/h3-12,18H,1-2H3/b17-11+/t12-/m1/s1
InChIKeyLJIDIHROSMYLFY-PBSOMRJOSA-N
XLogP3.58
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
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-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol (CID 135598253) is 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol is COc1ccccc1[C@@H](C)/N=C/c1ccccc1O.
What is the InChIKey of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The InChIKey is LJIDIHROSMYLFY-PBSOMRJOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(14-8-4-6-10-16(14)19-2)17-11-13-7-3-5-9-15(13)18/h3-12,18H,1-2H3/b17-11+/t12-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol?
2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol has a molecular weight of 255.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]iminomethyl]phenol is sourced from PubChem (CID 135598253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).