2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol

C21H23O2P — CID 122497284

IUPAC2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol
SMILESCC(OCCO)C1=CC=C[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23O2P/c1-17(23-16-15-22)20-13-8-14-21(20)24(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,21-22H,15-16H2,1H3/t17?,21-/m0/s1
InChIKeyACSFDKFJUSEEQJ-LFABVHOISA-N
MW338.39 g/mol
LogP3.38
Rot. Bonds7

About 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol

2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol (PubChem CID 122497284) has the molecular formula C21H23O2P and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol
PubChem CID122497284
Molecular FormulaC21H23O2P
Molecular Weight338.39 g/mol
Exact Mass338.14
IUPAC Name2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol
SMILESCC(OCCO)C1=CC=C[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23O2P/c1-17(23-16-15-22)20-13-8-14-21(20)24(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,21-22H,15-16H2,1H3/t17?,21-/m0/s1
InChIKeyACSFDKFJUSEEQJ-LFABVHOISA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.38
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

ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 16689860
(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 102163654
2-(1-amino-3-phenylpropan-2-yl)oxyethanol
CID 103376743
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
CID 70556867
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
CID 173182255
cumene;2-(2-fluoroethoxy)ethanol
CID 142309026
2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol
CID 71201573
2-[(1S)-2-iodo-1-phenylethoxy]ethanol
CID 125483394
biphenylene;2-methoxyethanol
CID 69005385

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol (CID 122497284) is 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol is CC(OCCO)C1=CC=C[C@@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol?
The InChIKey is ACSFDKFJUSEEQJ-LFABVHOISA-N. The full InChI is InChI=1S/C21H23O2P/c1-17(23-16-15-22)20-13-8-14-21(20)24(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,21-22H,15-16H2,1H3/t17?,21-/m0/s1.
What are the key properties of 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol?
2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol has a molecular weight of 338.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol is sourced from PubChem (CID 122497284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).