4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol

C14H23O4P — CID 69095386

IUPAC4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol
SMILESO=P(CCCCO)(CCCCO)Oc1ccccc1
InChIInChI=1S/C14H23O4P/c15-10-4-6-12-19(17,13-7-5-11-16)18-14-8-2-1-3-9-14/h1-3,8-9,15-16H,4-7,10-13H2
InChIKeyLTXLJUCXCLZFIP-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.89
Rot. Bonds10

About 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol

4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol (PubChem CID 69095386) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol.

Molecular Properties

Compound Name4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol
PubChem CID69095386
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol
SMILESO=P(CCCCO)(CCCCO)Oc1ccccc1
InChIInChI=1S/C14H23O4P/c15-10-4-6-12-19(17,13-7-5-11-16)18-14-8-2-1-3-9-14/h1-3,8-9,15-16H,4-7,10-13H2
InChIKeyLTXLJUCXCLZFIP-UHFFFAOYSA-N
XLogP2.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol?
The IUPAC name of 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol (CID 69095386) is 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol.
What is the SMILES notation for 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol?
The canonical SMILES for 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol is O=P(CCCCO)(CCCCO)Oc1ccccc1.
What is the InChIKey of 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol?
The InChIKey is LTXLJUCXCLZFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c15-10-4-6-12-19(17,13-7-5-11-16)18-14-8-2-1-3-9-14/h1-3,8-9,15-16H,4-7,10-13H2.
What are the key properties of 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol?
4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol has a molecular weight of 286.31 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol is sourced from PubChem (CID 69095386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).