2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol

C30H28N2O4 — CID 135440454

IUPAC2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol
SMILESCOc1ccccc1[C@@H](/N=C/c1ccccc1O)[C@@H](/N=C/c1ccccc1O)c1ccccc1OC
InChIInChI=1S/C30H28N2O4/c1-35-27-17-9-5-13-23(27)29(31-19-21-11-3-7-15-25(21)33)30(24-14-6-10-18-28(24)36-2)32-20-22-12-4-8-16-26(22)34/h3-20,29-30,33-34H,1-2H3/b31-19+,32-20+/t29-,30+
InChIKeyUMYJEASHMUCSLM-WAEOLBTGSA-N
MW480.56 g/mol
LogP6.14
Rot. Bonds9

About 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol

2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol (PubChem CID 135440454) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol
PubChem CID135440454
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol
SMILESCOc1ccccc1[C@@H](/N=C/c1ccccc1O)[C@@H](/N=C/c1ccccc1O)c1ccccc1OC
InChIInChI=1S/C30H28N2O4/c1-35-27-17-9-5-13-23(27)29(31-19-21-11-3-7-15-25(21)33)30(24-14-6-10-18-28(24)36-2)32-20-22-12-4-8-16-26(22)34/h3-20,29-30,33-34H,1-2H3/b31-19+,32-20+/t29-,30+
InChIKeyUMYJEASHMUCSLM-WAEOLBTGSA-N
XLogP6.14
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol (CID 135440454) is 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol is COc1ccccc1[C@@H](/N=C/c1ccccc1O)[C@@H](/N=C/c1ccccc1O)c1ccccc1OC.
What is the InChIKey of 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The InChIKey is UMYJEASHMUCSLM-WAEOLBTGSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-35-27-17-9-5-13-23(27)29(31-19-21-11-3-7-15-25(21)33)30(24-14-6-10-18-28(24)36-2)32-20-22-12-4-8-16-26(22)34/h3-20,29-30,33-34H,1-2H3/b31-19+,32-20+/t29-,30+.
What are the key properties of 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol?
2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol has a molecular weight of 480.56 g/mol, XLogP of 6.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol is sourced from PubChem (CID 135440454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).