[4-(methoxymethyl)phenoxy]methanone;rhenium

C9H9O3Re- — CID 155685310

IUPAC[4-(methoxymethyl)phenoxy]methanone;rhenium
SMILESCOCc1ccc(O[C-]=O)cc1.[Re]
InChIInChI=1S/C9H9O3.Re/c1-11-6-8-2-4-9(5-3-8)12-7-10;/h2-5H,6H2,1H3;/q-1;
InChIKeyCWHMMJUKVCWIOM-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.28
Rot. Bonds4

About [4-(methoxymethyl)phenoxy]methanone;rhenium

[4-(methoxymethyl)phenoxy]methanone;rhenium (PubChem CID 155685310) has the molecular formula C9H9O3Re- and a molecular weight of 351.38 g/mol. Its IUPAC name is [4-(methoxymethyl)phenoxy]methanone;rhenium.

Molecular Properties

Compound Name[4-(methoxymethyl)phenoxy]methanone;rhenium
PubChem CID155685310
Molecular FormulaC9H9O3Re-
Molecular Weight351.38 g/mol
Exact Mass352.01
IUPAC Name[4-(methoxymethyl)phenoxy]methanone;rhenium
SMILESCOCc1ccc(O[C-]=O)cc1.[Re]
InChIInChI=1S/C9H9O3.Re/c1-11-6-8-2-4-9(5-3-8)12-7-10;/h2-5H,6H2,1H3;/q-1;
InChIKeyCWHMMJUKVCWIOM-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(methoxymethyl)phenoxy]methanone;rhenium?
The IUPAC name of [4-(methoxymethyl)phenoxy]methanone;rhenium (CID 155685310) is [4-(methoxymethyl)phenoxy]methanone;rhenium.
What is the SMILES notation for [4-(methoxymethyl)phenoxy]methanone;rhenium?
The canonical SMILES for [4-(methoxymethyl)phenoxy]methanone;rhenium is COCc1ccc(O[C-]=O)cc1.[Re].
What is the InChIKey of [4-(methoxymethyl)phenoxy]methanone;rhenium?
The InChIKey is CWHMMJUKVCWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O3.Re/c1-11-6-8-2-4-9(5-3-8)12-7-10;/h2-5H,6H2,1H3;/q-1;.
What are the key properties of [4-(methoxymethyl)phenoxy]methanone;rhenium?
[4-(methoxymethyl)phenoxy]methanone;rhenium has a molecular weight of 351.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenoxy]methanone;rhenium is sourced from PubChem (CID 155685310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).