1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium

C17H19O2Y- — CID 59043103

IUPAC1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
SMILES[CH2-]Oc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.[Y]
InChIInChI=1S/C17H19O2.Y/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;/h5-12H,3H2,1-2,4H3;/q-1;
InChIKeyZTYCMHGIAWIIFM-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.19
Rot. Bonds4

About 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium

1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium (PubChem CID 59043103) has the molecular formula C17H19O2Y- and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium.

Molecular Properties

Compound Name1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
PubChem CID59043103
Molecular FormulaC17H19O2Y-
Molecular Weight344.24 g/mol
Exact Mass344.04
IUPAC Name1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
SMILES[CH2-]Oc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.[Y]
InChIInChI=1S/C17H19O2.Y/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;/h5-12H,3H2,1-2,4H3;/q-1;
InChIKeyZTYCMHGIAWIIFM-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
CID 118398991
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
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
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530
1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene
CID 123567151
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
CID 102373172
CID 102373172

Frequently Asked Questions

What is the IUPAC name of 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium?
The IUPAC name of 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium (CID 59043103) is 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium.
What is the SMILES notation for 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium?
The canonical SMILES for 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium is [CH2-]Oc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.[Y].
What is the InChIKey of 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium?
The InChIKey is ZTYCMHGIAWIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2.Y/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;/h5-12H,3H2,1-2,4H3;/q-1;.
What are the key properties of 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium?
1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium has a molecular weight of 344.24 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium is sourced from PubChem (CID 59043103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).