lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate

C32H35LiO3 — CID 134873666

IUPAClithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate
SMILESCOc1cc(C(C)(C)C)c(O/C([O-])=C2/C=Cc3ccccc3[C@H]2c2ccccc2)c(C(C)(C)C)c1.[Li+]
InChIInChI=1S/C32H36O3.Li/c1-31(2,3)26-19-23(34-7)20-27(32(4,5)6)29(26)35-30(33)25-18-17-21-13-11-12-16-24(21)28(25)22-14-9-8-10-15-22;/h8-20,28,33H,1-7H3;/q;+1/p-1/b30-25-;/t28-;/m1./s1
InChIKeyRYQFWOOYUNTGJV-OLPCRNLPSA-M
MW474.57 g/mol
LogP4.10
Rot. Bonds4

About lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate

lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate (PubChem CID 134873666) has the molecular formula C32H35LiO3 and a molecular weight of 474.57 g/mol. Its IUPAC name is lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate.

Molecular Properties

Compound Namelithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate
PubChem CID134873666
Molecular FormulaC32H35LiO3
Molecular Weight474.57 g/mol
Exact Mass474.27
IUPAC Namelithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate
SMILESCOc1cc(C(C)(C)C)c(O/C([O-])=C2/C=Cc3ccccc3[C@H]2c2ccccc2)c(C(C)(C)C)c1.[Li+]
InChIInChI=1S/C32H36O3.Li/c1-31(2,3)26-19-23(34-7)20-27(32(4,5)6)29(26)35-30(33)25-18-17-21-13-11-12-16-24(21)28(25)22-14-9-8-10-15-22;/h8-20,28,33H,1-7H3;/q;+1/p-1/b30-25-;/t28-;/m1./s1
InChIKeyRYQFWOOYUNTGJV-OLPCRNLPSA-M
XLogP4.10
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate with MolForge

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Launch Full Analysis

Related Compounds

(2,6-ditert-butyl-4-methoxyphenyl) (1S,2S)-2-butyl-1,2-dihydronaphthalene-1-carboxylate
CID 14532284
(2,6-ditert-butyl-4-methoxyphenyl) (1S,2R)-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 10528362
1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene
CID 139965056
(2,6-ditert-butyl-4-methoxyphenyl) (3S)-3-phenylbutanoate
CID 102115782
(2,6-ditert-butyl-4-methoxyphenyl) 4-(N-phenylanilino)benzoate
CID 10864108
2,6-ditert-butyl-4-methoxyphenol
CID 10269
(2,6-ditert-butyl-4-methoxyphenyl) (2S,3S)-3-acetyloxy-2-methyl-3-phenylpropanoate
CID 10873887
(2,6-ditert-butyl-4-methoxyphenyl) naphthalene-1-carboxylate
CID 11014638
(2,6-ditert-butyl-4-methoxyphenyl) (3S)-3-acetyloxy-2,2-dimethyl-3-phenylpropanoate
CID 10983310
[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite
CID 140827254
2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
CID 139908520
(2,6-ditert-butyl-4-methoxyphenyl) 1-butyl-1,4-dihydronaphthalene-2-carboxylate
CID 14532294

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate?
The IUPAC name of lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate (CID 134873666) is lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate.
What is the SMILES notation for lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate?
The canonical SMILES for lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate is COc1cc(C(C)(C)C)c(O/C([O-])=C2/C=Cc3ccccc3[C@H]2c2ccccc2)c(C(C)(C)C)c1.[Li+].
What is the InChIKey of lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate?
The InChIKey is RYQFWOOYUNTGJV-OLPCRNLPSA-M. The full InChI is InChI=1S/C32H36O3.Li/c1-31(2,3)26-19-23(34-7)20-27(32(4,5)6)29(26)35-30(33)25-18-17-21-13-11-12-16-24(21)28(25)22-14-9-8-10-15-22;/h8-20,28,33H,1-7H3;/q;+1/p-1/b30-25-;/t28-;/m1./s1.
What are the key properties of lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate?
lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate has a molecular weight of 474.57 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate is sourced from PubChem (CID 134873666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).