bis(2-ethylphenyl)-trihydroxy-λ5-phosphane

C16H21O3P — CID 57131116

IUPACbis(2-ethylphenyl)-trihydroxy-λ5-phosphane
SMILESCCc1ccccc1P(O)(O)(O)c1ccccc1CC
InChIInChI=1S/C16H21O3P/c1-3-13-9-5-7-11-15(13)20(17,18,19)16-12-8-6-10-14(16)4-2/h5-12,17-19H,3-4H2,1-2H3
InChIKeyQTZRWECJRGFHLR-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.04
Rot. Bonds4

About bis(2-ethylphenyl)-trihydroxy-λ5-phosphane

bis(2-ethylphenyl)-trihydroxy-λ5-phosphane (PubChem CID 57131116) has the molecular formula C16H21O3P and a molecular weight of 292.32 g/mol. Its IUPAC name is bis(2-ethylphenyl)-trihydroxy-λ5-phosphane.

Molecular Properties

Compound Namebis(2-ethylphenyl)-trihydroxy-λ5-phosphane
PubChem CID57131116
Molecular FormulaC16H21O3P
Molecular Weight292.32 g/mol
Exact Mass292.12
IUPAC Namebis(2-ethylphenyl)-trihydroxy-λ5-phosphane
SMILESCCc1ccccc1P(O)(O)(O)c1ccccc1CC
InChIInChI=1S/C16H21O3P/c1-3-13-9-5-7-11-15(13)20(17,18,19)16-12-8-6-10-14(16)4-2/h5-12,17-19H,3-4H2,1-2H3
InChIKeyQTZRWECJRGFHLR-UHFFFAOYSA-N
XLogP2.04
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-ethylphenyl)-trihydroxy-λ5-phosphane?
The IUPAC name of bis(2-ethylphenyl)-trihydroxy-λ5-phosphane (CID 57131116) is bis(2-ethylphenyl)-trihydroxy-λ5-phosphane.
What is the SMILES notation for bis(2-ethylphenyl)-trihydroxy-λ5-phosphane?
The canonical SMILES for bis(2-ethylphenyl)-trihydroxy-λ5-phosphane is CCc1ccccc1P(O)(O)(O)c1ccccc1CC.
What is the InChIKey of bis(2-ethylphenyl)-trihydroxy-λ5-phosphane?
The InChIKey is QTZRWECJRGFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O3P/c1-3-13-9-5-7-11-15(13)20(17,18,19)16-12-8-6-10-14(16)4-2/h5-12,17-19H,3-4H2,1-2H3.
What are the key properties of bis(2-ethylphenyl)-trihydroxy-λ5-phosphane?
bis(2-ethylphenyl)-trihydroxy-λ5-phosphane has a molecular weight of 292.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylphenyl)-trihydroxy-λ5-phosphane is sourced from PubChem (CID 57131116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).