dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol

C20H31O4P — CID 3640413

IUPACdicyclohexyloxyphosphoryl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1
InChIInChI=1S/C20H31O4P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h12-15,18-21H,2-11H2,1H3
InChIKeyPPQXPTGHXYKDST-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.88
Rot. Bonds6

About dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol

dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol (PubChem CID 3640413) has the molecular formula C20H31O4P and a molecular weight of 366.44 g/mol. Its IUPAC name is dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol.

Molecular Properties

Compound Namedicyclohexyloxyphosphoryl-(4-methylphenyl)methanol
PubChem CID3640413
Molecular FormulaC20H31O4P
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Namedicyclohexyloxyphosphoryl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1
InChIInChI=1S/C20H31O4P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h12-15,18-21H,2-11H2,1H3
InChIKeyPPQXPTGHXYKDST-UHFFFAOYSA-N
XLogP5.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol?
The IUPAC name of dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol (CID 3640413) is dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol.
What is the SMILES notation for dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol?
The canonical SMILES for dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol is Cc1ccc(C(O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1.
What is the InChIKey of dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol?
The InChIKey is PPQXPTGHXYKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31O4P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h12-15,18-21H,2-11H2,1H3.
What are the key properties of dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol?
dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol has a molecular weight of 366.44 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyloxyphosphoryl-(4-methylphenyl)methanol is sourced from PubChem (CID 3640413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).