4-[[(1S)-1-phenylpropyl]iminomethyl]phenol

C16H17NO — CID 135750361

IUPAC4-[[(1S)-1-phenylpropyl]iminomethyl]phenol
SMILESCC[C@H](/N=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-2-16(14-6-4-3-5-7-14)17-12-13-8-10-15(18)11-9-13/h3-12,16,18H,2H2,1H3/b17-12+/t16-/m0/s1
InChIKeyXDCOCXHHEKPHLS-WLSWZUKCSA-N
MW239.32 g/mol
LogP3.96
Rot. Bonds4

About 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol

4-[[(1S)-1-phenylpropyl]iminomethyl]phenol (PubChem CID 135750361) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[(1S)-1-phenylpropyl]iminomethyl]phenol
PubChem CID135750361
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-[[(1S)-1-phenylpropyl]iminomethyl]phenol
SMILESCC[C@H](/N=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-2-16(14-6-4-3-5-7-14)17-12-13-8-10-15(18)11-9-13/h3-12,16,18H,2H2,1H3/b17-12+/t16-/m0/s1
InChIKeyXDCOCXHHEKPHLS-WLSWZUKCSA-N
XLogP3.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
methyl (2S)-2-[(4-hydroxyphenyl)methylideneamino]-3-phenylpropanoate
CID 135404719
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
CID 135409477
[4-[(4-butoxyphenyl)methylideneamino]-4-phenylbutyl] hydrogen carbonate
CID 53438470
1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine
CID 58104667
(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol
CID 101116812
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900
1-(benzylideneamino)ethanol
CID 66697160
ethyl 2-[(4-chlorophenyl)methylideneamino]-2-phenylacetate
CID 10662075
1-(diaminomethylidene)-2-(1-phenylpropyl)guanidine
CID 15411052
4-(1-phenylpropylamino)phenol
CID 43742837

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol?
The IUPAC name of 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol (CID 135750361) is 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol?
The canonical SMILES for 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol is CC[C@H](/N=C/c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol?
The InChIKey is XDCOCXHHEKPHLS-WLSWZUKCSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-16(14-6-4-3-5-7-14)17-12-13-8-10-15(18)11-9-13/h3-12,16,18H,2H2,1H3/b17-12+/t16-/m0/s1.
What are the key properties of 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol?
4-[[(1S)-1-phenylpropyl]iminomethyl]phenol has a molecular weight of 239.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-phenylpropyl]iminomethyl]phenol is sourced from PubChem (CID 135750361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).