2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol

C24H21O3PS — CID 175038346

IUPAC2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol
SMILESO=P(OCC(O)c1ccccc1-c1cccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21O3PS/c25-23(21-14-7-8-15-22(21)24-16-9-17-29-24)18-27-28(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,23,25H,18H2
InChIKeyHPEVPXDVYYDRHI-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.39
Rot. Bonds7

About 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol

2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol (PubChem CID 175038346) has the molecular formula C24H21O3PS and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol
PubChem CID175038346
Molecular FormulaC24H21O3PS
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC Name2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol
SMILESO=P(OCC(O)c1ccccc1-c1cccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21O3PS/c25-23(21-14-7-8-15-22(21)24-16-9-17-29-24)18-27-28(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,23,25H,18H2
InChIKeyHPEVPXDVYYDRHI-UHFFFAOYSA-N
XLogP5.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid
CID 155667396
(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol
CID 66514296
methyl (Z)-2-[hydroxy-(2-thiophen-2-ylphenyl)methyl]-3-iodoprop-2-enoate
CID 24827581
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
N-oxo-2-thiophen-2-ylbenzamide
CID 134287051
2-methoxy-1-(2-phenylphenyl)ethanol
CID 146163535
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
2-(2-methylsulfinylphenyl)thiophene
CID 174418669
2-[but-3-ynoxy(phenyl)phosphoryl]thiophene
CID 134117658
3-methyl-5-oxo-5-(2-thiophen-2-ylanilino)pentanoic acid
CID 62966107
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-(2-thiophen-2-ylanilino)propanoic acid
CID 66173526

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol?
The IUPAC name of 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol (CID 175038346) is 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol.
What is the SMILES notation for 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol?
The canonical SMILES for 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol is O=P(OCC(O)c1ccccc1-c1cccs1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol?
The InChIKey is HPEVPXDVYYDRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O3PS/c25-23(21-14-7-8-15-22(21)24-16-9-17-29-24)18-27-28(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,23,25H,18H2.
What are the key properties of 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol?
2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol has a molecular weight of 420.47 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol is sourced from PubChem (CID 175038346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).