(4-benzoylphenoxy)-butyltin

C17H18O2Sn — CID 59488003

IUPAC(4-benzoylphenoxy)-butyltin
SMILESCCCC[Sn]Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H10O2.C4H9.Sn/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3-4-2;/h1-9,14H;1,3-4H2,2H3;/q;;+1/p-1
InChIKeyBYFWXJKBKPMHMF-UHFFFAOYSA-M
MW373.04 g/mol
LogP4.13
Rot. Bonds7

About (4-benzoylphenoxy)-butyltin

(4-benzoylphenoxy)-butyltin (PubChem CID 59488003) has the molecular formula C17H18O2Sn and a molecular weight of 373.04 g/mol. Its IUPAC name is (4-benzoylphenoxy)-butyltin.

Molecular Properties

Compound Name(4-benzoylphenoxy)-butyltin
PubChem CID59488003
Molecular FormulaC17H18O2Sn
Molecular Weight373.04 g/mol
Exact Mass374.03
IUPAC Name(4-benzoylphenoxy)-butyltin
SMILESCCCC[Sn]Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H10O2.C4H9.Sn/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3-4-2;/h1-9,14H;1,3-4H2,2H3;/q;;+1/p-1
InChIKeyBYFWXJKBKPMHMF-UHFFFAOYSA-M
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(111C)butyl benzoate
CID 11994383
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
butyl benzoate;hexyl benzoate
CID 22163024
1,1'-biphenyl;butyl benzoate
CID 67401065
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
[4-[3-[methyl(octadecyl)amino]propoxy]phenyl]-phenylmethanone
CID 118461102
3-(4-benzoylphenoxy)propyl-dimethyl-octadecylazanium bromide
CID 154729646
1-(4-benzoylphenoxy)-3-butoxy-3-methylbutan-2-one
CID 134481998

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenoxy)-butyltin?
The IUPAC name of (4-benzoylphenoxy)-butyltin (CID 59488003) is (4-benzoylphenoxy)-butyltin.
What is the SMILES notation for (4-benzoylphenoxy)-butyltin?
The canonical SMILES for (4-benzoylphenoxy)-butyltin is CCCC[Sn]Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenoxy)-butyltin?
The InChIKey is BYFWXJKBKPMHMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10O2.C4H9.Sn/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3-4-2;/h1-9,14H;1,3-4H2,2H3;/q;;+1/p-1.
What are the key properties of (4-benzoylphenoxy)-butyltin?
(4-benzoylphenoxy)-butyltin has a molecular weight of 373.04 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenoxy)-butyltin is sourced from PubChem (CID 59488003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).