bis(4-methylphenyl)phosphorylmethanol

C15H17O2P — CID 793566

IUPACbis(4-methylphenyl)phosphorylmethanol
SMILESCc1ccc(P(=O)(CO)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H17O2P/c1-12-3-7-14(8-4-12)18(17,11-16)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3
InChIKeyKLVYQZVFJKZTFS-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.57
Rot. Bonds3

About bis(4-methylphenyl)phosphorylmethanol

bis(4-methylphenyl)phosphorylmethanol (PubChem CID 793566) has the molecular formula C15H17O2P and a molecular weight of 260.27 g/mol. Its IUPAC name is bis(4-methylphenyl)phosphorylmethanol.

Molecular Properties

Compound Namebis(4-methylphenyl)phosphorylmethanol
PubChem CID793566
Molecular FormulaC15H17O2P
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namebis(4-methylphenyl)phosphorylmethanol
SMILESCc1ccc(P(=O)(CO)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H17O2P/c1-12-3-7-14(8-4-12)18(17,11-16)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3
InChIKeyKLVYQZVFJKZTFS-UHFFFAOYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.57
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 bis(4-methylphenyl)phosphorylmethanol?
The IUPAC name of bis(4-methylphenyl)phosphorylmethanol (CID 793566) is bis(4-methylphenyl)phosphorylmethanol.
What is the SMILES notation for bis(4-methylphenyl)phosphorylmethanol?
The canonical SMILES for bis(4-methylphenyl)phosphorylmethanol is Cc1ccc(P(=O)(CO)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl)phosphorylmethanol?
The InChIKey is KLVYQZVFJKZTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2P/c1-12-3-7-14(8-4-12)18(17,11-16)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3.
What are the key properties of bis(4-methylphenyl)phosphorylmethanol?
bis(4-methylphenyl)phosphorylmethanol has a molecular weight of 260.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)phosphorylmethanol is sourced from PubChem (CID 793566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).