2-(1-phenylphospholan-2-yl)ethanol

C12H17OP — CID 87485021

IUPAC2-(1-phenylphospholan-2-yl)ethanol
SMILESOCCC1CCCP1c1ccccc1
InChIInChI=1S/C12H17OP/c13-9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyZGCVCTDGGGZANE-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.34
Rot. Bonds3

About 2-(1-phenylphospholan-2-yl)ethanol

2-(1-phenylphospholan-2-yl)ethanol (PubChem CID 87485021) has the molecular formula C12H17OP and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(1-phenylphospholan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-phenylphospholan-2-yl)ethanol
PubChem CID87485021
Molecular FormulaC12H17OP
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(1-phenylphospholan-2-yl)ethanol
SMILESOCCC1CCCP1c1ccccc1
InChIInChI=1S/C12H17OP/c13-9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyZGCVCTDGGGZANE-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylphospholan-2-yl)ethanol?
The IUPAC name of 2-(1-phenylphospholan-2-yl)ethanol (CID 87485021) is 2-(1-phenylphospholan-2-yl)ethanol.
What is the SMILES notation for 2-(1-phenylphospholan-2-yl)ethanol?
The canonical SMILES for 2-(1-phenylphospholan-2-yl)ethanol is OCCC1CCCP1c1ccccc1.
What is the InChIKey of 2-(1-phenylphospholan-2-yl)ethanol?
The InChIKey is ZGCVCTDGGGZANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17OP/c13-9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of 2-(1-phenylphospholan-2-yl)ethanol?
2-(1-phenylphospholan-2-yl)ethanol has a molecular weight of 208.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylphospholan-2-yl)ethanol is sourced from PubChem (CID 87485021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).