(2,3-diethyl-6-methylphenyl) dihydrogen phosphite

C11H17O3P — CID 150334034

IUPAC(2,3-diethyl-6-methylphenyl) dihydrogen phosphite
SMILESCCc1ccc(C)c(OP(O)O)c1CC
InChIInChI=1S/C11H17O3P/c1-4-9-7-6-8(3)11(10(9)5-2)14-15(12)13/h6-7,12-13H,4-5H2,1-3H3
InChIKeyRTVYIPDLLMMTMZ-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.71
Rot. Bonds4

About (2,3-diethyl-6-methylphenyl) dihydrogen phosphite

(2,3-diethyl-6-methylphenyl) dihydrogen phosphite (PubChem CID 150334034) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is (2,3-diethyl-6-methylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2,3-diethyl-6-methylphenyl) dihydrogen phosphite
PubChem CID150334034
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name(2,3-diethyl-6-methylphenyl) dihydrogen phosphite
SMILESCCc1ccc(C)c(OP(O)O)c1CC
InChIInChI=1S/C11H17O3P/c1-4-9-7-6-8(3)11(10(9)5-2)14-15(12)13/h6-7,12-13H,4-5H2,1-3H3
InChIKeyRTVYIPDLLMMTMZ-UHFFFAOYSA-N
XLogP2.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
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 (2,3-diethyl-6-methylphenyl) dihydrogen phosphite?
The IUPAC name of (2,3-diethyl-6-methylphenyl) dihydrogen phosphite (CID 150334034) is (2,3-diethyl-6-methylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2,3-diethyl-6-methylphenyl) dihydrogen phosphite?
The canonical SMILES for (2,3-diethyl-6-methylphenyl) dihydrogen phosphite is CCc1ccc(C)c(OP(O)O)c1CC.
What is the InChIKey of (2,3-diethyl-6-methylphenyl) dihydrogen phosphite?
The InChIKey is RTVYIPDLLMMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-4-9-7-6-8(3)11(10(9)5-2)14-15(12)13/h6-7,12-13H,4-5H2,1-3H3.
What are the key properties of (2,3-diethyl-6-methylphenyl) dihydrogen phosphite?
(2,3-diethyl-6-methylphenyl) dihydrogen phosphite has a molecular weight of 228.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethyl-6-methylphenyl) dihydrogen phosphite is sourced from PubChem (CID 150334034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).