phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate

C16H16O2P- — CID 141016141

IUPACphenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate
SMILESCC(C)Oc1ccc(/P=C(\[O-])c2ccccc2)cc1
InChIInChI=1S/C16H17O2P/c1-12(2)18-14-8-10-15(11-9-14)19-16(17)13-6-4-3-5-7-13/h3-12,17H,1-2H3/p-1
InChIKeySTQCDOIFEFRMJS-UHFFFAOYSA-M
MW271.28 g/mol
LogP2.58
Rot. Bonds4

About phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate

phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate (PubChem CID 141016141) has the molecular formula C16H16O2P- and a molecular weight of 271.28 g/mol. Its IUPAC name is phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate.

Molecular Properties

Compound Namephenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate
PubChem CID141016141
Molecular FormulaC16H16O2P-
Molecular Weight271.28 g/mol
Exact Mass271.09
IUPAC Namephenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate
SMILESCC(C)Oc1ccc(/P=C(\[O-])c2ccccc2)cc1
InChIInChI=1S/C16H17O2P/c1-12(2)18-14-8-10-15(11-9-14)19-16(17)13-6-4-3-5-7-13/h3-12,17H,1-2H3/p-1
InChIKeySTQCDOIFEFRMJS-UHFFFAOYSA-M
XLogP2.58
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
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 phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate?
The IUPAC name of phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate (CID 141016141) is phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate.
What is the SMILES notation for phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate?
The canonical SMILES for phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate is CC(C)Oc1ccc(/P=C(\[O-])c2ccccc2)cc1.
What is the InChIKey of phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate?
The InChIKey is STQCDOIFEFRMJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17O2P/c1-12(2)18-14-8-10-15(11-9-14)19-16(17)13-6-4-3-5-7-13/h3-12,17H,1-2H3/p-1.
What are the key properties of phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate?
phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate has a molecular weight of 271.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate is sourced from PubChem (CID 141016141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).