CID 46182768

C30H38BiO6 — CID 46182768

IUPAC—
SMILESCc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.O.O=C([O-])c1ccccc1[O-].[Bi+2]
InChIInChI=1S/C23H32O2.C7H6O3.Bi.H2O/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;8-6-4-2-1-3-5(6)7(9)10;;/h9-12,24-25H,13H2,1-8H3;1-4,8H,(H,9,10);;1H2/q;;+2;/p-2
InChIKeyUPSPYUOIYNLVHT-UHFFFAOYSA-L
MW703.61 g/mol
LogP3.82
Rot. Bonds3

About CID 46182768

CID 46182768 (PubChem CID 46182768) has the molecular formula C30H38BiO6 and a molecular weight of 703.61 g/mol.

Molecular Properties

Compound NameCID 46182768
PubChem CID46182768
Molecular FormulaC30H38BiO6
Molecular Weight703.61 g/mol
Exact Mass703.25
IUPAC Name—
SMILESCc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.O.O=C([O-])c1ccccc1[O-].[Bi+2]
InChIInChI=1S/C23H32O2.C7H6O3.Bi.H2O/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;8-6-4-2-1-3-5(6)7(9)10;;/h9-12,24-25H,13H2,1-8H3;1-4,8H,(H,9,10);;1H2/q;;+2;/p-2
InChIKeyUPSPYUOIYNLVHT-UHFFFAOYSA-L
XLogP3.82
TPSA135.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500703.61
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19706004
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol
CID 20556676
(E)-3-[2,6-bis[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl]-2-methylprop-2-enoic acid
CID 19759955
3-[2-tert-butyl-5-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl]prop-2-enoic acid
CID 87424514
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
CID 87214855
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
CID 139625941
3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117415645

Frequently Asked Questions

What is the IUPAC name of CID 46182768?
The IUPAC name of CID 46182768 (CID 46182768) is not available.
What is the SMILES notation for CID 46182768?
The canonical SMILES for CID 46182768 is Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.O.O=C([O-])c1ccccc1[O-].[Bi+2].
What is the InChIKey of CID 46182768?
The InChIKey is UPSPYUOIYNLVHT-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H32O2.C7H6O3.Bi.H2O/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;8-6-4-2-1-3-5(6)7(9)10;;/h9-12,24-25H,13H2,1-8H3;1-4,8H,(H,9,10);;1H2/q;;+2;/p-2.
What are the key properties of CID 46182768?
CID 46182768 has a molecular weight of 703.61 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46182768 is sourced from PubChem (CID 46182768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).