2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol

C24H24BrNO4 — CID 140610701

IUPAC2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol
SMILESCOc1ccccc1C(O)(c1ccccc1OC)C(C)/N=C/c1cccc(Br)c1O
InChIInChI=1S/C24H24BrNO4/c1-16(26-15-17-9-8-12-20(25)23(17)27)24(28,18-10-4-6-13-21(18)29-2)19-11-5-7-14-22(19)30-3/h4-16,27-28H,1-3H3/b26-15+
InChIKeyMRYRQBUJUYPSGF-CVKSISIWSA-N
MW470.36 g/mol
LogP4.92
Rot. Bonds7

About 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol

2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol (PubChem CID 140610701) has the molecular formula C24H24BrNO4 and a molecular weight of 470.36 g/mol. Its IUPAC name is 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol
PubChem CID140610701
Molecular FormulaC24H24BrNO4
Molecular Weight470.36 g/mol
Exact Mass469.09
IUPAC Name2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol
SMILESCOc1ccccc1C(O)(c1ccccc1OC)C(C)/N=C/c1cccc(Br)c1O
InChIInChI=1S/C24H24BrNO4/c1-16(26-15-17-9-8-12-20(25)23(17)27)24(28,18-10-4-6-13-21(18)29-2)19-11-5-7-14-22(19)30-3/h4-16,27-28H,1-3H3/b26-15+
InChIKeyMRYRQBUJUYPSGF-CVKSISIWSA-N
XLogP4.92
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol
CID 140610697
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]iminomethyl]-6-methoxyphenol
CID 136861229
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate
CID 5255158
3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol
CID 3465269
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
methyl (2S)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylpentanoate
CID 135597963
[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534546
2-[[(2S)-1,1-bis(3,5-ditert-butylphenyl)-1-hydroxypropan-2-yl]iminomethyl]phenol
CID 136722731

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol?
The IUPAC name of 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol (CID 140610701) is 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol is COc1ccccc1C(O)(c1ccccc1OC)C(C)/N=C/c1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol?
The InChIKey is MRYRQBUJUYPSGF-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24BrNO4/c1-16(26-15-17-9-8-12-20(25)23(17)27)24(28,18-10-4-6-13-21(18)29-2)19-11-5-7-14-22(19)30-3/h4-16,27-28H,1-3H3/b26-15+.
What are the key properties of 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol?
2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol has a molecular weight of 470.36 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 140610701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).