2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)

C30H42CrN2O4+3 — CID 137305937

IUPAC2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)
SMILESCOc1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(OC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Cr+3]
InChIInChI=1S/C30H42N2O4.Cr/c1-29(2,3)23-15-21(35-7)13-19(27(23)33)17-31-25-11-9-10-12-26(25)32-18-20-14-22(36-8)16-24(28(20)34)30(4,5)6;/h13-18,25-26,33-34H,9-12H2,1-8H3;/q;+3/b31-17+,32-18+;/t25-,26-;/m1./s1
InChIKeyCLLKLNLVEVMQPG-UUMWLDSSSA-N
MW546.67 g/mol
LogP6.56
Rot. Bonds6

About 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)

2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+) (PubChem CID 137305937) has the molecular formula C30H42CrN2O4+3 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+).

Molecular Properties

Compound Name2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)
PubChem CID137305937
Molecular FormulaC30H42CrN2O4+3
Molecular Weight546.67 g/mol
Exact Mass546.25
IUPAC Name2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)
SMILESCOc1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(OC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Cr+3]
InChIInChI=1S/C30H42N2O4.Cr/c1-29(2,3)23-15-21(35-7)13-19(27(23)33)17-31-25-11-9-10-12-26(25)32-18-20-14-22(36-8)16-24(28(20)34)30(4,5)6;/h13-18,25-26,33-34H,9-12H2,1-8H3;/q;+3/b31-17+,32-18+;/t25-,26-;/m1./s1
InChIKeyCLLKLNLVEVMQPG-UUMWLDSSSA-N
XLogP6.56
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)?
The IUPAC name of 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+) (CID 137305937) is 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+).
What is the SMILES notation for 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)?
The canonical SMILES for 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+) is COc1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(OC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Cr+3].
What is the InChIKey of 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)?
The InChIKey is CLLKLNLVEVMQPG-UUMWLDSSSA-N. The full InChI is InChI=1S/C30H42N2O4.Cr/c1-29(2,3)23-15-21(35-7)13-19(27(23)33)17-31-25-11-9-10-12-26(25)32-18-20-14-22(36-8)16-24(28(20)34)30(4,5)6;/h13-18,25-26,33-34H,9-12H2,1-8H3;/q;+3/b31-17+,32-18+;/t25-,26-;/m1./s1.
What are the key properties of 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)?
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+) has a molecular weight of 546.67 g/mol, XLogP of 6.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+) is sourced from PubChem (CID 137305937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).