6-diphenylphosphorylhexan-1-ol

C18H23O2P — CID 13198868

IUPAC6-diphenylphosphorylhexan-1-ol
SMILESO=P(CCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O2P/c19-15-9-1-2-10-16-21(20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19H,1-2,9-10,15-16H2
InChIKeyFDDPUOLOFIWQMM-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.55
Rot. Bonds8

About 6-diphenylphosphorylhexan-1-ol

6-diphenylphosphorylhexan-1-ol (PubChem CID 13198868) has the molecular formula C18H23O2P and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-diphenylphosphorylhexan-1-ol.

Molecular Properties

Compound Name6-diphenylphosphorylhexan-1-ol
PubChem CID13198868
Molecular FormulaC18H23O2P
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name6-diphenylphosphorylhexan-1-ol
SMILESO=P(CCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O2P/c19-15-9-1-2-10-16-21(20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19H,1-2,9-10,15-16H2
InChIKeyFDDPUOLOFIWQMM-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Diphenylphosphoryl)methanol
CID 608528
Phosphine oxide, diphenyl(tetrahydro-2-furanyl)-
CID 2832189
2-Diphenylphosphorylethanol
CID 426866
(2-Ethoxyethyl)(diphenyl)phosphine oxide
CID 2304634
(3-Hydroxypropyl)triphenylphosphonium bromide
CID 11025793
Phosphinic acid, diphenyl-, pentyl ester
CID 2272930
10-Hydroxy-n-decyltriphenylphosphonium bromide
CID 11991378
3-(Diphenylphosphoryl)propan-1-ol
CID 2063417
2-[(Diphenylphosphoryl)methoxy]ethanol
CID 657758
3-Dibenzylphosphorylpropan-1-ol
CID 2303987
(3-Hydroxypropyl)triphenylphosphonium iodide
CID 11442250
2-(Diphenylphosphino)ethanol
CID 796908

Frequently Asked Questions

What is the IUPAC name of 6-diphenylphosphorylhexan-1-ol?
The IUPAC name of 6-diphenylphosphorylhexan-1-ol (CID 13198868) is 6-diphenylphosphorylhexan-1-ol.
What is the SMILES notation for 6-diphenylphosphorylhexan-1-ol?
The canonical SMILES for 6-diphenylphosphorylhexan-1-ol is O=P(CCCCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-diphenylphosphorylhexan-1-ol?
The InChIKey is FDDPUOLOFIWQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P/c19-15-9-1-2-10-16-21(20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19H,1-2,9-10,15-16H2.
What are the key properties of 6-diphenylphosphorylhexan-1-ol?
6-diphenylphosphorylhexan-1-ol has a molecular weight of 302.35 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylphosphorylhexan-1-ol is sourced from PubChem (CID 13198868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).