(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol

C16H21O4P — CID 15260930

IUPAC(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
SMILESCCOP(=O)(OCC)[C@@](C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21O4P/c1-4-19-21(18,20-5-2)16(3,17)15-11-10-13-8-6-7-9-14(13)12-15/h6-12,17H,4-5H2,1-3H3/t16-/m1/s1
InChIKeyVZBSSTIETUNCFF-MRXNPFEDSA-N
MW308.31 g/mol
LogP4.27
Rot. Bonds6

About (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol

(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol (PubChem CID 15260930) has the molecular formula C16H21O4P and a molecular weight of 308.31 g/mol. Its IUPAC name is (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
PubChem CID15260930
Molecular FormulaC16H21O4P
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
SMILESCCOP(=O)(OCC)[C@@](C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21O4P/c1-4-19-21(18,20-5-2)16(3,17)15-11-10-13-8-6-7-9-14(13)12-15/h6-12,17H,4-5H2,1-3H3/t16-/m1/s1
InChIKeyVZBSSTIETUNCFF-MRXNPFEDSA-N
XLogP4.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol?
The IUPAC name of (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol (CID 15260930) is (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol?
The canonical SMILES for (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol is CCOP(=O)(OCC)[C@@](C)(O)c1ccc2ccccc2c1.
What is the InChIKey of (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol?
The InChIKey is VZBSSTIETUNCFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21O4P/c1-4-19-21(18,20-5-2)16(3,17)15-11-10-13-8-6-7-9-14(13)12-15/h6-12,17H,4-5H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol?
(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol has a molecular weight of 308.31 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol is sourced from PubChem (CID 15260930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).