2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol

C25H26N2O3 — CID 136883517

IUPAC2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/[C@@H](CO)c2ccccc2)c(O)c(/C=N/[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-18-12-21(14-26-23(16-28)19-8-4-2-5-9-19)25(30)22(13-18)15-27-24(17-29)20-10-6-3-7-11-20/h2-15,23-24,28-30H,16-17H2,1H3/b26-14+,27-15+/t23-,24-/m0/s1
InChIKeyUBRCSUOTCTVUBV-VYLGSPJQSA-N
MW402.49 g/mol
LogP4.01
Rot. Bonds8

About 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol

2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol (PubChem CID 136883517) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
PubChem CID136883517
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/[C@@H](CO)c2ccccc2)c(O)c(/C=N/[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-18-12-21(14-26-23(16-28)19-8-4-2-5-9-19)25(30)22(13-18)15-27-24(17-29)20-10-6-3-7-11-20/h2-15,23-24,28-30H,16-17H2,1H3/b26-14+,27-15+/t23-,24-/m0/s1
InChIKeyUBRCSUOTCTVUBV-VYLGSPJQSA-N
XLogP4.01
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol
CID 59664764
2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 4086151
(2S)-2-[[3-[[(1S)-1-carboxyethyl]iminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]propanoic acid
CID 136861684
(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
CID 10914573
CID 10914573
2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol
CID 137254256
2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol
CID 142139974
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
1-[(E)-[2-hydroxy-5-methyl-3-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]-3-phenylthiourea
CID 135519262
2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol
CID 137060299

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol?
The IUPAC name of 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol (CID 136883517) is 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol.
What is the SMILES notation for 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol?
The canonical SMILES for 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol is Cc1cc(/C=N/[C@@H](CO)c2ccccc2)c(O)c(/C=N/[C@@H](CO)c2ccccc2)c1.
What is the InChIKey of 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol?
The InChIKey is UBRCSUOTCTVUBV-VYLGSPJQSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-12-21(14-26-23(16-28)19-8-4-2-5-9-19)25(30)22(13-18)15-27-24(17-29)20-10-6-3-7-11-20/h2-15,23-24,28-30H,16-17H2,1H3/b26-14+,27-15+/t23-,24-/m0/s1.
What are the key properties of 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol?
2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol has a molecular weight of 402.49 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol is sourced from PubChem (CID 136883517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).