(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol

C10H17O5P — CID 11299626

IUPAC(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol
SMILESCCOP(=O)(C[C@@H](O)c1ccco1)OCC
InChIInChI=1S/C10H17O5P/c1-3-14-16(12,15-4-2)8-9(11)10-6-5-7-13-10/h5-7,9,11H,3-4,8H2,1-2H3/t9-/m1/s1
InChIKeyQRGPPFRSXLJFST-SECBINFHSA-N
MW248.21 g/mol
LogP2.58
Rot. Bonds7

About (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol

(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol (PubChem CID 11299626) has the molecular formula C10H17O5P and a molecular weight of 248.21 g/mol. Its IUPAC name is (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol
PubChem CID11299626
Molecular FormulaC10H17O5P
Molecular Weight248.21 g/mol
Exact Mass248.08
IUPAC Name(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol
SMILESCCOP(=O)(C[C@@H](O)c1ccco1)OCC
InChIInChI=1S/C10H17O5P/c1-3-14-16(12,15-4-2)8-9(11)10-6-5-7-13-10/h5-7,9,11H,3-4,8H2,1-2H3/t9-/m1/s1
InChIKeyQRGPPFRSXLJFST-SECBINFHSA-N
XLogP2.58
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.58
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

2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine
CID 72796397
2-[diethoxyphosphoryl(ethoxy)methyl]furan
CID 71381055
diethyl 2-[diethoxyphosphoryl(furan-2-yl)methyl]propanedioate;hydrate
CID 52997745
N-[diethoxyphosphoryl(furan-2-yl)methyl]-N-phenylhydroxylamine
CID 11278792
1-(furan-2-yl)decan-1-ol
CID 11085452
2-diethoxyphosphoryl-1-(1,3-thiazol-4-yl)ethanol
CID 91400840
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937
1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 103027526
2-[[ethoxy(phenoxy)phosphoryl]methyl]furan
CID 137470187
ethyl 4-diethoxyphosphoryl-3-phenylbutanoate
CID 50906118

Frequently Asked Questions

What is the IUPAC name of (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol (CID 11299626) is (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol is CCOP(=O)(C[C@@H](O)c1ccco1)OCC.
What is the InChIKey of (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol?
The InChIKey is QRGPPFRSXLJFST-SECBINFHSA-N. The full InChI is InChI=1S/C10H17O5P/c1-3-14-16(12,15-4-2)8-9(11)10-6-5-7-13-10/h5-7,9,11H,3-4,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol?
(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol has a molecular weight of 248.21 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol is sourced from PubChem (CID 11299626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).