(2,4-dibutylphenyl) dihydrogen phosphite

C14H23O3P — CID 67509897

IUPAC(2,4-dibutylphenyl) dihydrogen phosphite
SMILESCCCCc1ccc(OP(O)O)c(CCCC)c1
InChIInChI=1S/C14H23O3P/c1-3-5-7-12-9-10-14(17-18(15)16)13(11-12)8-6-4-2/h9-11,15-16H,3-8H2,1-2H3
InChIKeyWCVXAANRNCZCLE-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.96
Rot. Bonds8

About (2,4-dibutylphenyl) dihydrogen phosphite

(2,4-dibutylphenyl) dihydrogen phosphite (PubChem CID 67509897) has the molecular formula C14H23O3P and a molecular weight of 270.31 g/mol. Its IUPAC name is (2,4-dibutylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2,4-dibutylphenyl) dihydrogen phosphite
PubChem CID67509897
Molecular FormulaC14H23O3P
Molecular Weight270.31 g/mol
Exact Mass270.14
IUPAC Name(2,4-dibutylphenyl) dihydrogen phosphite
SMILESCCCCc1ccc(OP(O)O)c(CCCC)c1
InChIInChI=1S/C14H23O3P/c1-3-5-7-12-9-10-14(17-18(15)16)13(11-12)8-6-4-2/h9-11,15-16H,3-8H2,1-2H3
InChIKeyWCVXAANRNCZCLE-UHFFFAOYSA-N
XLogP3.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-dibutylphenyl) dihydrogen phosphite 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(2,4-dibutylphenyl) phosphite
CID 10974297
(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
CID 151672758
(2,4-didecylphenoxy)boronic acid
CID 157267410
bis(2,4-dibutylphenyl) benzene-1,4-dicarboxylate
CID 70631476
(2,4-dibutylphenyl) dihydrogen phosphate
CID 20569368
phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216
bis[2,4-di(nonyl)phenyl] carbonate
CID 141039917
(2,3,4-tripentylphenyl) dihydrogen phosphite
CID 141324371
(2,4-dibutylphenyl) 3,5-dibutyl-4-hydroxybenzoate
CID 66825236
bis(2,4-dipentylphenyl) benzene-1,4-dicarboxylate
CID 70631411
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2,4-dibutyl-1-chlorobenzene
CID 18417644

Frequently Asked Questions

What is the IUPAC name of (2,4-dibutylphenyl) dihydrogen phosphite?
The IUPAC name of (2,4-dibutylphenyl) dihydrogen phosphite (CID 67509897) is (2,4-dibutylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2,4-dibutylphenyl) dihydrogen phosphite?
The canonical SMILES for (2,4-dibutylphenyl) dihydrogen phosphite is CCCCc1ccc(OP(O)O)c(CCCC)c1.
What is the InChIKey of (2,4-dibutylphenyl) dihydrogen phosphite?
The InChIKey is WCVXAANRNCZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O3P/c1-3-5-7-12-9-10-14(17-18(15)16)13(11-12)8-6-4-2/h9-11,15-16H,3-8H2,1-2H3.
What are the key properties of (2,4-dibutylphenyl) dihydrogen phosphite?
(2,4-dibutylphenyl) dihydrogen phosphite has a molecular weight of 270.31 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibutylphenyl) dihydrogen phosphite is sourced from PubChem (CID 67509897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).