(3,4-dichloro-2-octylphenyl) dihydrogen phosphite

C14H21Cl2O3P — CID 172843838

IUPAC(3,4-dichloro-2-octylphenyl) dihydrogen phosphite
SMILESCCCCCCCCc1c(OP(O)O)ccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2O3P/c1-2-3-4-5-6-7-8-11-13(19-20(17)18)10-9-12(15)14(11)16/h9-10,17-18H,2-8H2,1H3
InChIKeyXDOBNSNYVYZUKN-UHFFFAOYSA-N
MW339.20 g/mol
LogP5.49
Rot. Bonds9

About (3,4-dichloro-2-octylphenyl) dihydrogen phosphite

(3,4-dichloro-2-octylphenyl) dihydrogen phosphite (PubChem CID 172843838) has the molecular formula C14H21Cl2O3P and a molecular weight of 339.20 g/mol. Its IUPAC name is (3,4-dichloro-2-octylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(3,4-dichloro-2-octylphenyl) dihydrogen phosphite
PubChem CID172843838
Molecular FormulaC14H21Cl2O3P
Molecular Weight339.20 g/mol
Exact Mass338.06
IUPAC Name(3,4-dichloro-2-octylphenyl) dihydrogen phosphite
SMILESCCCCCCCCc1c(OP(O)O)ccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2O3P/c1-2-3-4-5-6-7-8-11-13(19-20(17)18)10-9-12(15)14(11)16/h9-10,17-18H,2-8H2,1H3
InChIKeyXDOBNSNYVYZUKN-UHFFFAOYSA-N
XLogP5.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.20
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (3,4-dichloro-2-octylphenyl) dihydrogen phosphite?
The IUPAC name of (3,4-dichloro-2-octylphenyl) dihydrogen phosphite (CID 172843838) is (3,4-dichloro-2-octylphenyl) dihydrogen phosphite.
What is the SMILES notation for (3,4-dichloro-2-octylphenyl) dihydrogen phosphite?
The canonical SMILES for (3,4-dichloro-2-octylphenyl) dihydrogen phosphite is CCCCCCCCc1c(OP(O)O)ccc(Cl)c1Cl.
What is the InChIKey of (3,4-dichloro-2-octylphenyl) dihydrogen phosphite?
The InChIKey is XDOBNSNYVYZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2O3P/c1-2-3-4-5-6-7-8-11-13(19-20(17)18)10-9-12(15)14(11)16/h9-10,17-18H,2-8H2,1H3.
What are the key properties of (3,4-dichloro-2-octylphenyl) dihydrogen phosphite?
(3,4-dichloro-2-octylphenyl) dihydrogen phosphite has a molecular weight of 339.20 g/mol, XLogP of 5.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichloro-2-octylphenyl) dihydrogen phosphite is sourced from PubChem (CID 172843838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).