2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol

C18H21NO2 — CID 135682513

IUPAC2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/[C@H](C)c2ccccc2)c(O)c1
InChIInChI=1S/C18H21NO2/c1-3-11-21-17-10-9-16(18(20)12-17)13-19-14(2)15-7-5-4-6-8-15/h4-10,12-14,20H,3,11H2,1-2H3/b19-13+/t14-/m1/s1
InChIKeyXDGBJHFSEKLTDT-NFECSFHCSA-N
MW283.37 g/mol
LogP4.36
Rot. Bonds6

About 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol

2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol (PubChem CID 135682513) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
PubChem CID135682513
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/[C@H](C)c2ccccc2)c(O)c1
InChIInChI=1S/C18H21NO2/c1-3-11-21-17-10-9-16(18(20)12-17)13-19-14(2)15-7-5-4-6-8-15/h4-10,12-14,20H,3,11H2,1-2H3/b19-13+/t14-/m1/s1
InChIKeyXDGBJHFSEKLTDT-NFECSFHCSA-N
XLogP4.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135571924
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
CID 2387794
2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135852605
5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 136740116
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
1-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 4573114
5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
CID 139071672
2-[[(1R,2S)-2-[[2-hydroxy-4-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,2-diphenylethyl]iminomethyl]-5-(3-piperidin-1-ylpropoxy)phenol
CID 137124069
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol?
The IUPAC name of 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol (CID 135682513) is 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol.
What is the SMILES notation for 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol?
The canonical SMILES for 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol is CCCOc1ccc(/C=N/[C@H](C)c2ccccc2)c(O)c1.
What is the InChIKey of 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol?
The InChIKey is XDGBJHFSEKLTDT-NFECSFHCSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-11-21-17-10-9-16(18(20)12-17)13-19-14(2)15-7-5-4-6-8-15/h4-10,12-14,20H,3,11H2,1-2H3/b19-13+/t14-/m1/s1.
What are the key properties of 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol?
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol has a molecular weight of 283.37 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol is sourced from PubChem (CID 135682513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).