1-diphenylphosphorylcyclohexan-1-ol

C18H21O2P — CID 5082159

IUPAC1-diphenylphosphorylcyclohexan-1-ol
SMILESO=P(c1ccccc1)(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C18H21O2P/c19-18(14-8-3-9-15-18)21(20,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,19H,3,8-9,14-15H2
InChIKeySXFUMQXJAHMLDS-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.65
Rot. Bonds3

About 1-diphenylphosphorylcyclohexan-1-ol

1-diphenylphosphorylcyclohexan-1-ol (PubChem CID 5082159) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-diphenylphosphorylcyclohexan-1-ol.

Molecular Properties

Compound Name1-diphenylphosphorylcyclohexan-1-ol
PubChem CID5082159
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name1-diphenylphosphorylcyclohexan-1-ol
SMILESO=P(c1ccccc1)(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C18H21O2P/c19-18(14-8-3-9-15-18)21(20,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,19H,3,8-9,14-15H2
InChIKeySXFUMQXJAHMLDS-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.65
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 1-diphenylphosphorylcyclohexan-1-ol?
The IUPAC name of 1-diphenylphosphorylcyclohexan-1-ol (CID 5082159) is 1-diphenylphosphorylcyclohexan-1-ol.
What is the SMILES notation for 1-diphenylphosphorylcyclohexan-1-ol?
The canonical SMILES for 1-diphenylphosphorylcyclohexan-1-ol is O=P(c1ccccc1)(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-diphenylphosphorylcyclohexan-1-ol?
The InChIKey is SXFUMQXJAHMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2P/c19-18(14-8-3-9-15-18)21(20,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,19H,3,8-9,14-15H2.
What are the key properties of 1-diphenylphosphorylcyclohexan-1-ol?
1-diphenylphosphorylcyclohexan-1-ol has a molecular weight of 300.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylcyclohexan-1-ol is sourced from PubChem (CID 5082159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).