2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan

C24H29O2P — CID 122375580

IUPAC2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
SMILESCCCCCC[C@@H](CP(=O)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C24H29O2P/c1-2-3-4-7-13-21(24-18-12-19-26-24)20-27(25,22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-6,8-12,14-19,21H,2-4,7,13,20H2,1H3/t21-/m0/s1
InChIKeyAGOMPLKNTVNSBY-NRFANRHFSA-N
MW380.47 g/mol
LogP6.35
Rot. Bonds10

About 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan

2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan (PubChem CID 122375580) has the molecular formula C24H29O2P and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan.

Molecular Properties

Compound Name2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
PubChem CID122375580
Molecular FormulaC24H29O2P
Molecular Weight380.47 g/mol
Exact Mass380.19
IUPAC Name2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
SMILESCCCCCC[C@@H](CP(=O)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C24H29O2P/c1-2-3-4-7-13-21(24-18-12-19-26-24)20-27(25,22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-6,8-12,14-19,21H,2-4,7,13,20H2,1H3/t21-/m0/s1
InChIKeyAGOMPLKNTVNSBY-NRFANRHFSA-N
XLogP6.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.35
H-Bond Donors ≤ 50
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

2-[(2R)-1-diphenylphosphoryldodecan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122375570
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
1-(furan-2-yl)decan-1-ol
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2-nonan-2-ylfuran
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1-(furan-2-yl)decan-1-amine
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(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
2-(furan-2-yl)tridecanal
CID 175449616
(1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 11762891
[(2S,3R)-1-diphenylphosphoryl-2-trimethylsilyloxyheptan-3-yl]oxy-trimethylsilane
CID 10695952
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
1-(furan-2-yl)-2-methyloctan-1-ol
CID 44721006

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan?
The IUPAC name of 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan (CID 122375580) is 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan.
What is the SMILES notation for 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan?
The canonical SMILES for 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan is CCCCCC[C@@H](CP(=O)(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan?
The InChIKey is AGOMPLKNTVNSBY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29O2P/c1-2-3-4-7-13-21(24-18-12-19-26-24)20-27(25,22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-6,8-12,14-19,21H,2-4,7,13,20H2,1H3/t21-/m0/s1.
What are the key properties of 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan?
2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan has a molecular weight of 380.47 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan is sourced from PubChem (CID 122375580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).