2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol

C14H23OP — CID 134502373

IUPAC2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol
SMILESCCPC(C)(C)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C14H23OP/c1-6-16-14(4,5)12-9-7-11(8-10-12)13(2,3)15/h7-10,15-16H,6H2,1-5H3
InChIKeyRTNAFDMTTICMCG-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol

2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol (PubChem CID 134502373) has the molecular formula C14H23OP and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol
PubChem CID134502373
Molecular FormulaC14H23OP
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol
SMILESCCPC(C)(C)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C14H23OP/c1-6-16-14(4,5)12-9-7-11(8-10-12)13(2,3)15/h7-10,15-16H,6H2,1-5H3
InChIKeyRTNAFDMTTICMCG-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.85
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-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol (CID 134502373) is 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol is CCPC(C)(C)c1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol?
The InChIKey is RTNAFDMTTICMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23OP/c1-6-16-14(4,5)12-9-7-11(8-10-12)13(2,3)15/h7-10,15-16H,6H2,1-5H3.
What are the key properties of 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol?
2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol has a molecular weight of 238.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylphosphanylpropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 134502373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).