4-triphenylplumbylbutan-2-ol

C22H24OPb — CID 13358617

IUPAC4-triphenylplumbylbutan-2-ol
SMILESCC(O)CC[Pb](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C4H9O.Pb/c3*1-2-4-6-5-3-1;1-3-4(2)5;/h3*1-5H;4-5H,1,3H2,2H3;
InChIKeyDCNJQOCCDHKITC-UHFFFAOYSA-N
MW511.63 g/mol
LogP2.93
Rot. Bonds6

About 4-triphenylplumbylbutan-2-ol

4-triphenylplumbylbutan-2-ol (PubChem CID 13358617) has the molecular formula C22H24OPb and a molecular weight of 511.63 g/mol. Its IUPAC name is 4-triphenylplumbylbutan-2-ol.

Molecular Properties

Compound Name4-triphenylplumbylbutan-2-ol
PubChem CID13358617
Molecular FormulaC22H24OPb
Molecular Weight511.63 g/mol
Exact Mass512.16
IUPAC Name4-triphenylplumbylbutan-2-ol
SMILESCC(O)CC[Pb](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C4H9O.Pb/c3*1-2-4-6-5-3-1;1-3-4(2)5;/h3*1-5H;4-5H,1,3H2,2H3;
InChIKeyDCNJQOCCDHKITC-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-triphenylplumbylbutan-2-ol?
The IUPAC name of 4-triphenylplumbylbutan-2-ol (CID 13358617) is 4-triphenylplumbylbutan-2-ol.
What is the SMILES notation for 4-triphenylplumbylbutan-2-ol?
The canonical SMILES for 4-triphenylplumbylbutan-2-ol is CC(O)CC[Pb](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-triphenylplumbylbutan-2-ol?
The InChIKey is DCNJQOCCDHKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C4H9O.Pb/c3*1-2-4-6-5-3-1;1-3-4(2)5;/h3*1-5H;4-5H,1,3H2,2H3;.
What are the key properties of 4-triphenylplumbylbutan-2-ol?
4-triphenylplumbylbutan-2-ol has a molecular weight of 511.63 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triphenylplumbylbutan-2-ol is sourced from PubChem (CID 13358617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).