4-[methyl(phenyl)phosphoryl]butan-1-ol

C11H17O2P — CID 541481

IUPAC4-[methyl(phenyl)phosphoryl]butan-1-ol
SMILESCP(=O)(CCCCO)c1ccccc1
InChIInChI=1S/C11H17O2P/c1-14(13,10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyXFFHDKZHOYWXBR-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.08
Rot. Bonds5

About 4-[methyl(phenyl)phosphoryl]butan-1-ol

4-[methyl(phenyl)phosphoryl]butan-1-ol (PubChem CID 541481) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is 4-[methyl(phenyl)phosphoryl]butan-1-ol.

Molecular Properties

Compound Name4-[methyl(phenyl)phosphoryl]butan-1-ol
PubChem CID541481
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name4-[methyl(phenyl)phosphoryl]butan-1-ol
SMILESCP(=O)(CCCCO)c1ccccc1
InChIInChI=1S/C11H17O2P/c1-14(13,10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyXFFHDKZHOYWXBR-UHFFFAOYSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[methyl(phenyl)phosphoryl]butan-1-ol?
The IUPAC name of 4-[methyl(phenyl)phosphoryl]butan-1-ol (CID 541481) is 4-[methyl(phenyl)phosphoryl]butan-1-ol.
What is the SMILES notation for 4-[methyl(phenyl)phosphoryl]butan-1-ol?
The canonical SMILES for 4-[methyl(phenyl)phosphoryl]butan-1-ol is CP(=O)(CCCCO)c1ccccc1.
What is the InChIKey of 4-[methyl(phenyl)phosphoryl]butan-1-ol?
The InChIKey is XFFHDKZHOYWXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-14(13,10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3.
What are the key properties of 4-[methyl(phenyl)phosphoryl]butan-1-ol?
4-[methyl(phenyl)phosphoryl]butan-1-ol has a molecular weight of 212.23 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)phosphoryl]butan-1-ol is sourced from PubChem (CID 541481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).