1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol

C12H35O4P — CID 159129228

IUPAC1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol
SMILESC.C.C.CC(O)CC(C)O.CC(O)PC(C)O
InChIInChI=1S/C5H12O2.C4H11O2P.3CH4/c1-4(6)3-5(2)7;1-3(5)7-4(2)6;;;/h4-7H,3H2,1-2H3;3-7H,1-2H3;3*1H4
InChIKeyKGQZTEMTYTUGRW-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.39
Rot. Bonds4

About 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol

1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol (PubChem CID 159129228) has the molecular formula C12H35O4P and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol.

Molecular Properties

Compound Name1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol
PubChem CID159129228
Molecular FormulaC12H35O4P
Molecular Weight274.38 g/mol
Exact Mass274.23
IUPAC Name1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol
SMILESC.C.C.CC(O)CC(C)O.CC(O)PC(C)O
InChIInChI=1S/C5H12O2.C4H11O2P.3CH4/c1-4(6)3-5(2)7;1-3(5)7-4(2)6;;;/h4-7H,3H2,1-2H3;3-7H,1-2H3;3*1H4
InChIKeyKGQZTEMTYTUGRW-UHFFFAOYSA-N
XLogP2.39
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(pentane-2,4-diol);ruthenium
CID 5231187
copper bis(pentane-2,4-diol)
CID 135036707
europium;tetrakis(pentane-2,4-diol)
CID 59946569
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
CID 6395570
CID 6395570
lanthanum;tris(pentane-2,4-diol);dihydrate
CID 5245936
methane;(2R)-4-methylpentan-2-ol
CID 159585988
oxotitanium;bis(pentane-2,4-diol)
CID 166004724
4-methylpentan-2-ol;zinc
CID 158419154
4-methylpentan-2-ol;titanium
CID 158071265

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol?
The IUPAC name of 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol (CID 159129228) is 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol.
What is the SMILES notation for 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol?
The canonical SMILES for 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol is C.C.C.CC(O)CC(C)O.CC(O)PC(C)O.
What is the InChIKey of 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol?
The InChIKey is KGQZTEMTYTUGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H11O2P.3CH4/c1-4(6)3-5(2)7;1-3(5)7-4(2)6;;;/h4-7H,3H2,1-2H3;3-7H,1-2H3;3*1H4.
What are the key properties of 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol?
1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol has a molecular weight of 274.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol is sourced from PubChem (CID 159129228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).