1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol

C20H23O4PS — CID 132604993

IUPAC1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol
SMILESO=P(CCc1ccco1)(CCc1ccco1)C(O)CSc1ccccc1
InChIInChI=1S/C20H23O4PS/c21-20(16-26-19-8-2-1-3-9-19)25(22,14-10-17-6-4-12-23-17)15-11-18-7-5-13-24-18/h1-9,12-13,20-21H,10-11,14-16H2
InChIKeyPFQKWBVSLPAIKW-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.13
Rot. Bonds10

About 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol

1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol (PubChem CID 132604993) has the molecular formula C20H23O4PS and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol
PubChem CID132604993
Molecular FormulaC20H23O4PS
Molecular Weight390.44 g/mol
Exact Mass390.11
IUPAC Name1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol
SMILESO=P(CCc1ccco1)(CCc1ccco1)C(O)CSc1ccccc1
InChIInChI=1S/C20H23O4PS/c21-20(16-26-19-8-2-1-3-9-19)25(22,14-10-17-6-4-12-23-17)15-11-18-7-5-13-24-18/h1-9,12-13,20-21H,10-11,14-16H2
InChIKeyPFQKWBVSLPAIKW-UHFFFAOYSA-N
XLogP5.13
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(furan-2-yl)ethyl]-(2-phenylsulfanylethyl)-sulfanylidene-λ5-phosphane
CID 122223842
(2R)-4-(furan-2-yl)-2-hydroxybutanoic acid
CID 141032870
2-hydroxy-3-phenylsulfanylpropanoic acid
CID 14591356
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
1-(3-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-ol
CID 83175265
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842330
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86934875
(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate
CID 55322975
2-[(2-azido-3-phenylsulfanylpropoxy)methyl]furan
CID 22730499
bis[2-(furan-2-yl)ethyl]phosphinothioylselanyl-bis[2-(furan-2-yl)ethyl]-sulfanylidene-λ5-phosphane
CID 102190119
3-(furan-2-yl)-1,1-diphenylpropan-2-one
CID 83171492
[2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol
CID 54455854

Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol?
The IUPAC name of 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol (CID 132604993) is 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol.
What is the SMILES notation for 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol?
The canonical SMILES for 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol is O=P(CCc1ccco1)(CCc1ccco1)C(O)CSc1ccccc1.
What is the InChIKey of 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol?
The InChIKey is PFQKWBVSLPAIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O4PS/c21-20(16-26-19-8-2-1-3-9-19)25(22,14-10-17-6-4-12-23-17)15-11-18-7-5-13-24-18/h1-9,12-13,20-21H,10-11,14-16H2.
What are the key properties of 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol?
1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol has a molecular weight of 390.44 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(furan-2-yl)ethyl]phosphoryl]-2-phenylsulfanylethanol is sourced from PubChem (CID 132604993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).