hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium

C10H12O4P+ — CID 69477397

IUPAChydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium
SMILESCOC(=O)CCc1ccc([P+](=O)O)cc1
InChIInChI=1S/C10H11O4P/c1-14-10(11)7-4-8-2-5-9(6-3-8)15(12)13/h2-3,5-6H,4,7H2,1H3/p+1
InChIKeyPVAWRUUTKKDUMA-UHFFFAOYSA-O
MW227.18 g/mol
LogP1.15
Rot. Bonds4

About hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium

hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium (PubChem CID 69477397) has the molecular formula C10H12O4P+ and a molecular weight of 227.18 g/mol. Its IUPAC name is hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium
PubChem CID69477397
Molecular FormulaC10H12O4P+
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Namehydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium
SMILESCOC(=O)CCc1ccc([P+](=O)O)cc1
InChIInChI=1S/C10H11O4P/c1-14-10(11)7-4-8-2-5-9(6-3-8)15(12)13/h2-3,5-6H,4,7H2,1H3/p+1
InChIKeyPVAWRUUTKKDUMA-UHFFFAOYSA-O
XLogP1.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(4-formylphenyl)propanoate
CID 11063253
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
CID 159099314
methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
methyl 3-pyridin-4-ylpropanoate
CID 3704115
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 3-[[4-[(3-methoxy-3-oxopropoxy)methyl]phenyl]methoxy]propanoate
CID 142715469
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate
CID 91743844

Frequently Asked Questions

What is the IUPAC name of hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium?
The IUPAC name of hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium (CID 69477397) is hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium?
The canonical SMILES for hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium is COC(=O)CCc1ccc([P+](=O)O)cc1.
What is the InChIKey of hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium?
The InChIKey is PVAWRUUTKKDUMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11O4P/c1-14-10(11)7-4-8-2-5-9(6-3-8)15(12)13/h2-3,5-6H,4,7H2,1H3/p+1.
What are the key properties of hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium?
hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium has a molecular weight of 227.18 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium is sourced from PubChem (CID 69477397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).