1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium

C17H18O2Pr2-2 — CID 177190391

IUPAC1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium
SMILESCOc1ccc(OC(C)(C)C)cc1-c1[c-]ccc[c-]1.[Pr].[Pr]
InChIInChI=1S/C17H18O2.2Pr/c1-17(2,3)19-14-10-11-16(18-4)15(12-14)13-8-6-5-7-9-13;;/h5-7,10-12H,1-4H3;;/q-2;;
InChIKeyAJOSSTLLAIZFTJ-UHFFFAOYSA-N
MW536.15 g/mol
LogP4.14
Rot. Bonds3

About 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium

1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium (PubChem CID 177190391) has the molecular formula C17H18O2Pr2-2 and a molecular weight of 536.15 g/mol. Its IUPAC name is 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium.

Molecular Properties

Compound Name1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium
PubChem CID177190391
Molecular FormulaC17H18O2Pr2-2
Molecular Weight536.15 g/mol
Exact Mass535.95
IUPAC Name1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium
SMILESCOc1ccc(OC(C)(C)C)cc1-c1[c-]ccc[c-]1.[Pr].[Pr]
InChIInChI=1S/C17H18O2.2Pr/c1-17(2,3)19-14-10-11-16(18-4)15(12-14)13-8-6-5-7-9-13;;/h5-7,10-12H,1-4H3;;/q-2;;
InChIKeyAJOSSTLLAIZFTJ-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.15
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium?
The IUPAC name of 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium (CID 177190391) is 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium.
What is the SMILES notation for 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium?
The canonical SMILES for 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium is COc1ccc(OC(C)(C)C)cc1-c1[c-]ccc[c-]1.[Pr].[Pr].
What is the InChIKey of 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium?
The InChIKey is AJOSSTLLAIZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.2Pr/c1-17(2,3)19-14-10-11-16(18-4)15(12-14)13-8-6-5-7-9-13;;/h5-7,10-12H,1-4H3;;/q-2;;.
What are the key properties of 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium?
1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium has a molecular weight of 536.15 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylbenzene;praseodymium is sourced from PubChem (CID 177190391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).