2-diphenylphosphoryloxycyclohexan-1-ol

C18H21O3P — CID 175340118

IUPAC2-diphenylphosphoryloxycyclohexan-1-ol
SMILESO=P(OC1CCCCC1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O3P/c19-17-13-7-8-14-18(17)21-22(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2
InChIKeyXFYHKEKVPOBOLR-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.24
Rot. Bonds4

About 2-diphenylphosphoryloxycyclohexan-1-ol

2-diphenylphosphoryloxycyclohexan-1-ol (PubChem CID 175340118) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-diphenylphosphoryloxycyclohexan-1-ol.

Molecular Properties

Compound Name2-diphenylphosphoryloxycyclohexan-1-ol
PubChem CID175340118
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name2-diphenylphosphoryloxycyclohexan-1-ol
SMILESO=P(OC1CCCCC1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O3P/c19-17-13-7-8-14-18(17)21-22(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2
InChIKeyXFYHKEKVPOBOLR-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryloxycyclohexan-1-ol?
The IUPAC name of 2-diphenylphosphoryloxycyclohexan-1-ol (CID 175340118) is 2-diphenylphosphoryloxycyclohexan-1-ol.
What is the SMILES notation for 2-diphenylphosphoryloxycyclohexan-1-ol?
The canonical SMILES for 2-diphenylphosphoryloxycyclohexan-1-ol is O=P(OC1CCCCC1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryloxycyclohexan-1-ol?
The InChIKey is XFYHKEKVPOBOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3P/c19-17-13-7-8-14-18(17)21-22(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2.
What are the key properties of 2-diphenylphosphoryloxycyclohexan-1-ol?
2-diphenylphosphoryloxycyclohexan-1-ol has a molecular weight of 316.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryloxycyclohexan-1-ol is sourced from PubChem (CID 175340118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).