4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol

C16H16ClNO2 — CID 145079806

IUPAC4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol
SMILESOC[C@@H](Cc1ccccc1)/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO2/c17-14-6-7-16(20)13(9-14)10-18-15(11-19)8-12-4-2-1-3-5-12/h1-7,9-10,15,19-20H,8,11H2/b18-10+/t15-/m1/s1
InChIKeyYEMNRUBJQFXOHQ-BFERYNQYSA-N
MW289.76 g/mol
LogP3.07
Rot. Bonds5

About 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol

4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol (PubChem CID 145079806) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol
PubChem CID145079806
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol
SMILESOC[C@@H](Cc1ccccc1)/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO2/c17-14-6-7-16(20)13(9-14)10-18-15(11-19)8-12-4-2-1-3-5-12/h1-7,9-10,15,19-20H,8,11H2/b18-10+/t15-/m1/s1
InChIKeyYEMNRUBJQFXOHQ-BFERYNQYSA-N
XLogP3.07
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.07
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

4-chloro-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]iminomethyl]phenol
CID 135758067
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
CID 137225852
(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 136916103
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
CID 137105568
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol
CID 135595403
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-4-nitrobenzonitrile
CID 10308489
2-[[(3R)-1-benzylpyrrolidin-3-yl]iminomethyl]-4-chlorophenol
CID 135598272
4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol
CID 136832239
2-[(2-hydroxy-5-sulfophenyl)methylideneamino]-3-phenylpropanoic acid
CID 136719290
6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135895720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol (CID 145079806) is 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol is OC[C@@H](Cc1ccccc1)/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol?
The InChIKey is YEMNRUBJQFXOHQ-BFERYNQYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-6-7-16(20)13(9-14)10-18-15(11-19)8-12-4-2-1-3-5-12/h1-7,9-10,15,19-20H,8,11H2/b18-10+/t15-/m1/s1.
What are the key properties of 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol?
4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol has a molecular weight of 289.76 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 145079806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).