4-phenylbutanoic acid;tungsten(2+)

C10H10O2W — CID 172532886

IUPAC4-phenylbutanoic acid;tungsten(2+)
SMILESO=C(O)[CH-]CCc1[c-]cccc1.[W+2]
InChIInChI=1S/C10H10O2.W/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5,8H,4,7H2,(H,11,12);/q-2;+2
InChIKeyCHJFNJFWPRYSKH-UHFFFAOYSA-N
MW346.03 g/mol
LogP1.71
Rot. Bonds4

About 4-phenylbutanoic acid;tungsten(2+)

4-phenylbutanoic acid;tungsten(2+) (PubChem CID 172532886) has the molecular formula C10H10O2W and a molecular weight of 346.03 g/mol. Its IUPAC name is 4-phenylbutanoic acid;tungsten(2+).

Molecular Properties

Compound Name4-phenylbutanoic acid;tungsten(2+)
PubChem CID172532886
Molecular FormulaC10H10O2W
Molecular Weight346.03 g/mol
Exact Mass346.02
IUPAC Name4-phenylbutanoic acid;tungsten(2+)
SMILESO=C(O)[CH-]CCc1[c-]cccc1.[W+2]
InChIInChI=1S/C10H10O2.W/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5,8H,4,7H2,(H,11,12);/q-2;+2
InChIKeyCHJFNJFWPRYSKH-UHFFFAOYSA-N
XLogP1.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.03
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-phenylbutanoic acid;tungsten(2+)?
The IUPAC name of 4-phenylbutanoic acid;tungsten(2+) (CID 172532886) is 4-phenylbutanoic acid;tungsten(2+).
What is the SMILES notation for 4-phenylbutanoic acid;tungsten(2+)?
The canonical SMILES for 4-phenylbutanoic acid;tungsten(2+) is O=C(O)[CH-]CCc1[c-]cccc1.[W+2].
What is the InChIKey of 4-phenylbutanoic acid;tungsten(2+)?
The InChIKey is CHJFNJFWPRYSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.W/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5,8H,4,7H2,(H,11,12);/q-2;+2.
What are the key properties of 4-phenylbutanoic acid;tungsten(2+)?
4-phenylbutanoic acid;tungsten(2+) has a molecular weight of 346.03 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutanoic acid;tungsten(2+) is sourced from PubChem (CID 172532886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).