dicyclohexyloxyphosphoryl(phenyl)methanol

C19H29O4P — CID 3493139

IUPACdicyclohexyloxyphosphoryl(phenyl)methanol
SMILESO=P(OC1CCCCC1)(OC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C19H29O4P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1,4-5,10-11,17-20H,2-3,6-9,12-15H2
InChIKeyKKSSNFHRTRFOOV-UHFFFAOYSA-N
MW352.41 g/mol
LogP5.57
Rot. Bonds6

About dicyclohexyloxyphosphoryl(phenyl)methanol

dicyclohexyloxyphosphoryl(phenyl)methanol (PubChem CID 3493139) has the molecular formula C19H29O4P and a molecular weight of 352.41 g/mol. Its IUPAC name is dicyclohexyloxyphosphoryl(phenyl)methanol.

Molecular Properties

Compound Namedicyclohexyloxyphosphoryl(phenyl)methanol
PubChem CID3493139
Molecular FormulaC19H29O4P
Molecular Weight352.41 g/mol
Exact Mass352.18
IUPAC Namedicyclohexyloxyphosphoryl(phenyl)methanol
SMILESO=P(OC1CCCCC1)(OC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C19H29O4P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1,4-5,10-11,17-20H,2-3,6-9,12-15H2
InChIKeyKKSSNFHRTRFOOV-UHFFFAOYSA-N
XLogP5.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dicyclohexyloxyphosphoryl(phenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dicyclohexyloxyphosphoryl(phenyl)methanol?
The IUPAC name of dicyclohexyloxyphosphoryl(phenyl)methanol (CID 3493139) is dicyclohexyloxyphosphoryl(phenyl)methanol.
What is the SMILES notation for dicyclohexyloxyphosphoryl(phenyl)methanol?
The canonical SMILES for dicyclohexyloxyphosphoryl(phenyl)methanol is O=P(OC1CCCCC1)(OC1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of dicyclohexyloxyphosphoryl(phenyl)methanol?
The InChIKey is KKSSNFHRTRFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29O4P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1,4-5,10-11,17-20H,2-3,6-9,12-15H2.
What are the key properties of dicyclohexyloxyphosphoryl(phenyl)methanol?
dicyclohexyloxyphosphoryl(phenyl)methanol has a molecular weight of 352.41 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyloxyphosphoryl(phenyl)methanol is sourced from PubChem (CID 3493139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).