(1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol

C13H19O3P — CID 160691753

IUPAC(1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol
SMILESCC1([C@@H](O)COP)CCO[C@H]1c1ccccc1
InChIInChI=1S/C13H19O3P/c1-13(11(14)9-16-17)7-8-15-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9,17H2,1H3/t11-,12-,13?/m0/s1
InChIKeyRPMMRWYACWDUJL-VYAYZGMFSA-N
MW254.27 g/mol
LogP2.32
Rot. Bonds4

About (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol

(1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol (PubChem CID 160691753) has the molecular formula C13H19O3P and a molecular weight of 254.27 g/mol. Its IUPAC name is (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol
PubChem CID160691753
Molecular FormulaC13H19O3P
Molecular Weight254.27 g/mol
Exact Mass254.11
IUPAC Name(1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol
SMILESCC1([C@@H](O)COP)CCO[C@H]1c1ccccc1
InChIInChI=1S/C13H19O3P/c1-13(11(14)9-16-17)7-8-15-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9,17H2,1H3/t11-,12-,13?/m0/s1
InChIKeyRPMMRWYACWDUJL-VYAYZGMFSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol?
The IUPAC name of (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol (CID 160691753) is (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol.
What is the SMILES notation for (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol?
The canonical SMILES for (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol is CC1([C@@H](O)COP)CCO[C@H]1c1ccccc1.
What is the InChIKey of (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol?
The InChIKey is RPMMRWYACWDUJL-VYAYZGMFSA-N. The full InChI is InChI=1S/C13H19O3P/c1-13(11(14)9-16-17)7-8-15-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9,17H2,1H3/t11-,12-,13?/m0/s1.
What are the key properties of (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol?
(1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol has a molecular weight of 254.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol is sourced from PubChem (CID 160691753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).