[tert-butyl(phenyl)phosphoryl]methanol

C11H17O2P — CID 793449

IUPAC[tert-butyl(phenyl)phosphoryl]methanol
SMILESCC(C)(C)P(=O)(CO)c1ccccc1
InChIInChI=1S/C11H17O2P/c1-11(2,3)14(13,9-12)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyGZUQSBLQZUAVAF-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.42
Rot. Bonds2

About [tert-butyl(phenyl)phosphoryl]methanol

[tert-butyl(phenyl)phosphoryl]methanol (PubChem CID 793449) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is [tert-butyl(phenyl)phosphoryl]methanol.

Molecular Properties

Compound Name[tert-butyl(phenyl)phosphoryl]methanol
PubChem CID793449
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name[tert-butyl(phenyl)phosphoryl]methanol
SMILESCC(C)(C)P(=O)(CO)c1ccccc1
InChIInChI=1S/C11H17O2P/c1-11(2,3)14(13,9-12)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyGZUQSBLQZUAVAF-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(phenyl)phosphoryl]methanol?
The IUPAC name of [tert-butyl(phenyl)phosphoryl]methanol (CID 793449) is [tert-butyl(phenyl)phosphoryl]methanol.
What is the SMILES notation for [tert-butyl(phenyl)phosphoryl]methanol?
The canonical SMILES for [tert-butyl(phenyl)phosphoryl]methanol is CC(C)(C)P(=O)(CO)c1ccccc1.
What is the InChIKey of [tert-butyl(phenyl)phosphoryl]methanol?
The InChIKey is GZUQSBLQZUAVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-11(2,3)14(13,9-12)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3.
What are the key properties of [tert-butyl(phenyl)phosphoryl]methanol?
[tert-butyl(phenyl)phosphoryl]methanol has a molecular weight of 212.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(phenyl)phosphoryl]methanol is sourced from PubChem (CID 793449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).