ethanol;ethyl acetate;triphenylphosphane

C24H29O3P — CID 87079685

IUPACethanol;ethyl acetate;triphenylphosphane
SMILESCCO.CCOC(C)=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H8O2.C2H6O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-6-4(2)5;1-2-3/h1-15H;3H2,1-2H3;3H,2H2,1H3
InChIKeyTVWPFCIVNXOGLO-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.01
Rot. Bonds4

About ethanol;ethyl acetate;triphenylphosphane

ethanol;ethyl acetate;triphenylphosphane (PubChem CID 87079685) has the molecular formula C24H29O3P and a molecular weight of 396.47 g/mol. Its IUPAC name is ethanol;ethyl acetate;triphenylphosphane.

Molecular Properties

Compound Nameethanol;ethyl acetate;triphenylphosphane
PubChem CID87079685
Molecular FormulaC24H29O3P
Molecular Weight396.47 g/mol
Exact Mass396.19
IUPAC Nameethanol;ethyl acetate;triphenylphosphane
SMILESCCO.CCOC(C)=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H8O2.C2H6O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-6-4(2)5;1-2-3/h1-15H;3H2,1-2H3;3H,2H2,1H3
InChIKeyTVWPFCIVNXOGLO-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl acetate;triphenylphosphane?
The IUPAC name of ethanol;ethyl acetate;triphenylphosphane (CID 87079685) is ethanol;ethyl acetate;triphenylphosphane.
What is the SMILES notation for ethanol;ethyl acetate;triphenylphosphane?
The canonical SMILES for ethanol;ethyl acetate;triphenylphosphane is CCO.CCOC(C)=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethanol;ethyl acetate;triphenylphosphane?
The InChIKey is TVWPFCIVNXOGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C4H8O2.C2H6O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-6-4(2)5;1-2-3/h1-15H;3H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;ethyl acetate;triphenylphosphane?
ethanol;ethyl acetate;triphenylphosphane has a molecular weight of 396.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl acetate;triphenylphosphane is sourced from PubChem (CID 87079685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).