(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol

C12H17O2P — CID 145143506

IUPAC(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol
SMILESCC1CCC(C(O)c2ccc(P)cc2)O1
InChIInChI=1S/C12H17O2P/c1-8-2-7-11(14-8)12(13)9-3-5-10(15)6-4-9/h3-6,8,11-13H,2,7,15H2,1H3
InChIKeyZIROQMLSRRTISI-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.79
Rot. Bonds2

About (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol

(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol (PubChem CID 145143506) has the molecular formula C12H17O2P and a molecular weight of 224.24 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol
PubChem CID145143506
Molecular FormulaC12H17O2P
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol
SMILESCC1CCC(C(O)c2ccc(P)cc2)O1
InChIInChI=1S/C12H17O2P/c1-8-2-7-11(14-8)12(13)9-3-5-10(15)6-4-9/h3-6,8,11-13H,2,7,15H2,1H3
InChIKeyZIROQMLSRRTISI-UHFFFAOYSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol?
The IUPAC name of (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol (CID 145143506) is (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol.
What is the SMILES notation for (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol?
The canonical SMILES for (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol is CC1CCC(C(O)c2ccc(P)cc2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol?
The InChIKey is ZIROQMLSRRTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2P/c1-8-2-7-11(14-8)12(13)9-3-5-10(15)6-4-9/h3-6,8,11-13H,2,7,15H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol?
(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol has a molecular weight of 224.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol is sourced from PubChem (CID 145143506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).