(2,3,4-tripentylphenyl) dihydrogen phosphite

C21H37O3P — CID 141324371

IUPAC(2,3,4-tripentylphenyl) dihydrogen phosphite
SMILESCCCCCc1ccc(OP(O)O)c(CCCCC)c1CCCCC
InChIInChI=1S/C21H37O3P/c1-4-7-10-13-18-16-17-21(24-25(22)23)20(15-12-9-6-3)19(18)14-11-8-5-2/h16-17,22-23H,4-15H2,1-3H3
InChIKeyULPXBRQXYBSAAY-UHFFFAOYSA-N
MW368.50 g/mol
LogP6.47
Rot. Bonds14

About (2,3,4-tripentylphenyl) dihydrogen phosphite

(2,3,4-tripentylphenyl) dihydrogen phosphite (PubChem CID 141324371) has the molecular formula C21H37O3P and a molecular weight of 368.50 g/mol. Its IUPAC name is (2,3,4-tripentylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2,3,4-tripentylphenyl) dihydrogen phosphite
PubChem CID141324371
Molecular FormulaC21H37O3P
Molecular Weight368.50 g/mol
Exact Mass368.25
IUPAC Name(2,3,4-tripentylphenyl) dihydrogen phosphite
SMILESCCCCCc1ccc(OP(O)O)c(CCCCC)c1CCCCC
InChIInChI=1S/C21H37O3P/c1-4-7-10-13-18-16-17-21(24-25(22)23)20(15-12-9-6-3)19(18)14-11-8-5-2/h16-17,22-23H,4-15H2,1-3H3
InChIKeyULPXBRQXYBSAAY-UHFFFAOYSA-N
XLogP6.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 56.47
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'}

Analyze (2,3,4-tripentylphenyl) 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

phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216
(3,4-dichloro-2-octylphenyl) dihydrogen phosphite
CID 172843838
[2,3,4-tri(nonyl)phenyl] hydrogen sulfite
CID 154149359
dihydroxy-sulfanylidene-(2,3,4-trihexylphenoxy)-λ5-phosphane
CID 23331135
1,2,3,4-tetrabutylbenzene
CID 11220391
tris(2,3,4-tributylphenyl) borate
CID 68718164
(2,4-dibutylphenyl) dihydrogen phosphite
CID 67509897
3,4-diheptyl-2-hexylphenol
CID 66866250
(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite
CID 88767163
2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 23465356
(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite
CID 150612862
4-butyl-2-decyl-3-octylphenol
CID 66866306

Frequently Asked Questions

What is the IUPAC name of (2,3,4-tripentylphenyl) dihydrogen phosphite?
The IUPAC name of (2,3,4-tripentylphenyl) dihydrogen phosphite (CID 141324371) is (2,3,4-tripentylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2,3,4-tripentylphenyl) dihydrogen phosphite?
The canonical SMILES for (2,3,4-tripentylphenyl) dihydrogen phosphite is CCCCCc1ccc(OP(O)O)c(CCCCC)c1CCCCC.
What is the InChIKey of (2,3,4-tripentylphenyl) dihydrogen phosphite?
The InChIKey is ULPXBRQXYBSAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37O3P/c1-4-7-10-13-18-16-17-21(24-25(22)23)20(15-12-9-6-3)19(18)14-11-8-5-2/h16-17,22-23H,4-15H2,1-3H3.
What are the key properties of (2,3,4-tripentylphenyl) dihydrogen phosphite?
(2,3,4-tripentylphenyl) dihydrogen phosphite has a molecular weight of 368.50 g/mol, XLogP of 6.47, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-tripentylphenyl) dihydrogen phosphite is sourced from PubChem (CID 141324371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).