1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)

C32H28F6O3U — CID 162619637

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)
SMILESCC(C)(c1cc[c-]cc1)c1ccc(O)cc1.[CH2-]Oc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.[U+2]
InChIInChI=1S/C17H13F6O2.C15H15O.U/c1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h3-10H,1H2,2H3;4-11,16H,1-2H3;/q2*-1;+2
InChIKeyOSAXVTFCRKZMQZ-UHFFFAOYSA-N
MW812.59 g/mol
LogP8.79
Rot. Bonds6

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)

1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+) (PubChem CID 162619637) has the molecular formula C32H28F6O3U and a molecular weight of 812.59 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+).

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)
PubChem CID162619637
Molecular FormulaC32H28F6O3U
Molecular Weight812.59 g/mol
Exact Mass812.25
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)
SMILESCC(C)(c1cc[c-]cc1)c1ccc(O)cc1.[CH2-]Oc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.[U+2]
InChIInChI=1S/C17H13F6O2.C15H15O.U/c1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h3-10H,1H2,2H3;4-11,16H,1-2H3;/q2*-1;+2
InChIKeyOSAXVTFCRKZMQZ-UHFFFAOYSA-N
XLogP8.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.59
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
CID 59043103
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159467125
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159097892
4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
CID 140743150
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536
ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 91273565
[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 18728940
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
9,9-bis(4-methoxyphenyl)fluorene;1,4-dimethoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;methylsulfanylmethane
CID 158814053
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+) (CID 162619637) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+).
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+) is CC(C)(c1cc[c-]cc1)c1ccc(O)cc1.[CH2-]Oc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.[U+2].
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)?
The InChIKey is OSAXVTFCRKZMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6O2.C15H15O.U/c1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h3-10H,1H2,2H3;4-11,16H,1-2H3;/q2*-1;+2.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+)?
1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+) has a molecular weight of 812.59 g/mol, XLogP of 8.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methanidyloxyphenyl)propan-2-yl]-4-methoxybenzene;4-(2-phenylpropan-2-yl)phenol;uranium(2+) is sourced from PubChem (CID 162619637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).