(2-butylphenyl)-diphenylbismuthane;carbonic acid

C23H25BiO3 — CID 157279107

IUPAC(2-butylphenyl)-diphenylbismuthane;carbonic acid
SMILESCCCCc1ccccc1[Bi](c1ccccc1)c1ccccc1.O=C(O)O
InChIInChI=1S/C10H13.2C6H5.CH2O3.Bi/c1-2-3-7-10-8-5-4-6-9-10;2*1-2-4-6-5-3-1;2-1(3)4;/h4-6,8H,2-3,7H2,1H3;2*1-5H;(H2,2,3,4);
InChIKeyAZLJJOIPXWWGEM-UHFFFAOYSA-N
MW558.43 g/mol
LogP3.77
Rot. Bonds6

About (2-butylphenyl)-diphenylbismuthane;carbonic acid

(2-butylphenyl)-diphenylbismuthane;carbonic acid (PubChem CID 157279107) has the molecular formula C23H25BiO3 and a molecular weight of 558.43 g/mol. Its IUPAC name is (2-butylphenyl)-diphenylbismuthane;carbonic acid.

Molecular Properties

Compound Name(2-butylphenyl)-diphenylbismuthane;carbonic acid
PubChem CID157279107
Molecular FormulaC23H25BiO3
Molecular Weight558.43 g/mol
Exact Mass558.16
IUPAC Name(2-butylphenyl)-diphenylbismuthane;carbonic acid
SMILESCCCCc1ccccc1[Bi](c1ccccc1)c1ccccc1.O=C(O)O
InChIInChI=1S/C10H13.2C6H5.CH2O3.Bi/c1-2-3-7-10-8-5-4-6-9-10;2*1-2-4-6-5-3-1;2-1(3)4;/h4-6,8H,2-3,7H2,1H3;2*1-5H;(H2,2,3,4);
InChIKeyAZLJJOIPXWWGEM-UHFFFAOYSA-N
XLogP3.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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carbonic acid;bis(2-nonylphenol)
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butylbenzene;carbonic acid
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bis(decanoic acid);triphenylbismuthane
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bis(2-butylbenzoate);cadmium(2+)
CID 101299924
CID 159940559
CID 159940559
2-butyl-N-phenylbenzamide
CID 3695058
4,6-dibutylbenzene-1,3-dicarboxylic acid
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2-butylbenzamide
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Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-diphenylbismuthane;carbonic acid?
The IUPAC name of (2-butylphenyl)-diphenylbismuthane;carbonic acid (CID 157279107) is (2-butylphenyl)-diphenylbismuthane;carbonic acid.
What is the SMILES notation for (2-butylphenyl)-diphenylbismuthane;carbonic acid?
The canonical SMILES for (2-butylphenyl)-diphenylbismuthane;carbonic acid is CCCCc1ccccc1[Bi](c1ccccc1)c1ccccc1.O=C(O)O.
What is the InChIKey of (2-butylphenyl)-diphenylbismuthane;carbonic acid?
The InChIKey is AZLJJOIPXWWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.2C6H5.CH2O3.Bi/c1-2-3-7-10-8-5-4-6-9-10;2*1-2-4-6-5-3-1;2-1(3)4;/h4-6,8H,2-3,7H2,1H3;2*1-5H;(H2,2,3,4);.
What are the key properties of (2-butylphenyl)-diphenylbismuthane;carbonic acid?
(2-butylphenyl)-diphenylbismuthane;carbonic acid has a molecular weight of 558.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-diphenylbismuthane;carbonic acid is sourced from PubChem (CID 157279107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).