2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol

C28H24ClNO2 — CID 135934907

IUPAC2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
SMILESOc1c(Cl)cccc1/C=N/[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24ClNO2/c29-25-18-10-13-22(27(25)31)20-30-26(19-21-11-4-1-5-12-21)28(32,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-18,20,26,31-32H,19H2/b30-20+/t26-/m0/s1
InChIKeyCSKXJGZXGLEJKY-RLBBTWETSA-N
MW441.96 g/mol
LogP6.01
Rot. Bonds7

About 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol

2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol (PubChem CID 135934907) has the molecular formula C28H24ClNO2 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
PubChem CID135934907
Molecular FormulaC28H24ClNO2
Molecular Weight441.96 g/mol
Exact Mass441.15
IUPAC Name2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
SMILESOc1c(Cl)cccc1/C=N/[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24ClNO2/c29-25-18-10-13-22(27(25)31)20-30-26(19-21-11-4-1-5-12-21)28(32,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-18,20,26,31-32H,19H2/b30-20+/t26-/m0/s1
InChIKeyCSKXJGZXGLEJKY-RLBBTWETSA-N
XLogP6.01
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 56.01
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-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
CID 135891732
(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol
CID 24882028
2-chloro-6-[[(1S,2S)-2-[(3-chloro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
CID 139203856
2-(benzyliminomethyl)-6-chlorophenol
CID 165349196
2,4-ditert-butyl-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol;dichlorotitanium;oxolane
CID 135455011
(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol
CID 101464213
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
2-[[1,1-bis(5-tert-butyl-2-methoxyphenyl)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-6-tert-butyl-4-methoxyphenol
CID 139698035
2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol
CID 140610697
2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
CID 72994394
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide
CID 136729180
[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
CID 7023047

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol?
The IUPAC name of 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol (CID 135934907) is 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol is Oc1c(Cl)cccc1/C=N/[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol?
The InChIKey is CSKXJGZXGLEJKY-RLBBTWETSA-N. The full InChI is InChI=1S/C28H24ClNO2/c29-25-18-10-13-22(27(25)31)20-30-26(19-21-11-4-1-5-12-21)28(32,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-18,20,26,31-32H,19H2/b30-20+/t26-/m0/s1.
What are the key properties of 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol?
2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol has a molecular weight of 441.96 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135934907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).