2-diphenylphosphorylcyclohexan-1-ol

C18H21O2P — CID 18704261

IUPAC2-diphenylphosphorylcyclohexan-1-ol
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCCC1O
InChIInChI=1S/C18H21O2P/c19-17-13-7-8-14-18(17)21(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
InChIKeyTYNJJEDJKSXWLE-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.30
Rot. Bonds3

About 2-diphenylphosphorylcyclohexan-1-ol

2-diphenylphosphorylcyclohexan-1-ol (PubChem CID 18704261) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-diphenylphosphorylcyclohexan-1-ol.

Molecular Properties

Compound Name2-diphenylphosphorylcyclohexan-1-ol
PubChem CID18704261
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name2-diphenylphosphorylcyclohexan-1-ol
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCCC1O
InChIInChI=1S/C18H21O2P/c19-17-13-7-8-14-18(17)21(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
InChIKeyTYNJJEDJKSXWLE-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Hydroxyethyl)triphenylphosphonium chloride
CID 520034
2-Diphenylphosphorylethanol
CID 426866
(2-Hydroxyethyl)triphenylphosphonium bromide
CID 2733550
(3-Hydroxypropyl)triphenylphosphonium bromide
CID 11025793
14-Hydroxytetradecyl(triphenyl)phosphanium bromide
CID 155539647
10-Hydroxy-n-decyltriphenylphosphonium bromide
CID 11991378
3-(Diphenylphosphoryl)propan-1-ol
CID 2063417
(3-Hydroxypropyl)triphenylphosphonium iodide
CID 11442250
Phosphonium, (5-hydroxypentyl)triphenyl-, bromide
CID 2784772
2-(Triphenylphosphoranyl)ethanol
CID 494065
Phosphinic acid, (1-hydroxycyclohexyl)phenyl-, ethyl ester
CID 749421
(2-Hydroxypropyl)triphenylphosphonium bromide
CID 10739795

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylcyclohexan-1-ol?
The IUPAC name of 2-diphenylphosphorylcyclohexan-1-ol (CID 18704261) is 2-diphenylphosphorylcyclohexan-1-ol.
What is the SMILES notation for 2-diphenylphosphorylcyclohexan-1-ol?
The canonical SMILES for 2-diphenylphosphorylcyclohexan-1-ol is O=P(c1ccccc1)(c1ccccc1)C1CCCCC1O.
What is the InChIKey of 2-diphenylphosphorylcyclohexan-1-ol?
The InChIKey is TYNJJEDJKSXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2P/c19-17-13-7-8-14-18(17)21(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-diphenylphosphorylcyclohexan-1-ol?
2-diphenylphosphorylcyclohexan-1-ol has a molecular weight of 300.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylcyclohexan-1-ol is sourced from PubChem (CID 18704261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).