1-diphenylphosphorylhexan-2-ol

C18H23O2P — CID 25231784

IUPAC1-diphenylphosphorylhexan-2-ol
SMILESCCCCC(O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O2P/c1-2-3-10-16(19)15-21(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16,19H,2-3,10,15H2,1H3
InChIKeyCMPISLXWUDFYLT-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.55
Rot. Bonds7

About 1-diphenylphosphorylhexan-2-ol

1-diphenylphosphorylhexan-2-ol (PubChem CID 25231784) has the molecular formula C18H23O2P and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-diphenylphosphorylhexan-2-ol.

Molecular Properties

Compound Name1-diphenylphosphorylhexan-2-ol
PubChem CID25231784
Molecular FormulaC18H23O2P
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-diphenylphosphorylhexan-2-ol
SMILESCCCCC(O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O2P/c1-2-3-10-16(19)15-21(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16,19H,2-3,10,15H2,1H3
InChIKeyCMPISLXWUDFYLT-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Isopropyl diphenylphosphinate
CID 416962
2-Diphenylphosphorylethanol
CID 426866
(2-Ethoxyethyl)(diphenyl)phosphine oxide
CID 2304634
Phosphinic acid, diphenyl-, pentyl ester
CID 2272930
3-(Diphenylphosphoryl)propan-1-ol
CID 2063417
(Isopropoxymethyl)(diphenyl)phosphine oxide
CID 1380946
2-Diphenylphosphorylpropan-2-ol
CID 777118
Phosphonium, (5-hydroxypentyl)triphenyl-, bromide
CID 2784772
1,1'-(Phenylphosphorothioyl)di(butan-1-ol)
CID 55372
5-Hydroxyhexan-2-yl diphenylborinate
CID 3087577
Phosphinic acid, (1-hydroxycyclohexyl)phenyl-, ethyl ester
CID 749421
(2-Hydroxypropyl)triphenylphosphonium bromide
CID 10739795

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphorylhexan-2-ol?
The IUPAC name of 1-diphenylphosphorylhexan-2-ol (CID 25231784) is 1-diphenylphosphorylhexan-2-ol.
What is the SMILES notation for 1-diphenylphosphorylhexan-2-ol?
The canonical SMILES for 1-diphenylphosphorylhexan-2-ol is CCCCC(O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphorylhexan-2-ol?
The InChIKey is CMPISLXWUDFYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P/c1-2-3-10-16(19)15-21(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16,19H,2-3,10,15H2,1H3.
What are the key properties of 1-diphenylphosphorylhexan-2-ol?
1-diphenylphosphorylhexan-2-ol has a molecular weight of 302.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylhexan-2-ol is sourced from PubChem (CID 25231784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).