(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite

C15H25O3P — CID 151672758

IUPAC(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
SMILESCCCCc1cc(CCCC)c(OP(O)O)cc1C
InChIInChI=1S/C15H25O3P/c1-4-6-8-13-11-14(9-7-5-2)15(10-12(13)3)18-19(16)17/h10-11,16-17H,4-9H2,1-3H3
InChIKeyDUKLTSUTQDLMDA-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.27
Rot. Bonds8

About (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite

(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite (PubChem CID 151672758) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
PubChem CID151672758
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
SMILESCCCCc1cc(CCCC)c(OP(O)O)cc1C
InChIInChI=1S/C15H25O3P/c1-4-6-8-13-11-14(9-7-5-2)15(10-12(13)3)18-19(16)17/h10-11,16-17H,4-9H2,1-3H3
InChIKeyDUKLTSUTQDLMDA-UHFFFAOYSA-N
XLogP4.27
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dibutylphenyl) dihydrogen phosphite
CID 67509897
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
(2,3,4-tripentylphenyl) dihydrogen phosphite
CID 141324371
(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite
CID 88767163
phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216
2-butyl-3-methylnaphthalene
CID 173304138
(2,5-ditert-butyl-4-octylphenyl) dihydrogen phosphite
CID 150612862
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
[4-butyl-2-ethyl-5-(2-ethylphenyl)-3-phenylphenyl] dihydrogen phosphite
CID 175187514
tris(2,4-dibutylphenyl) phosphite
CID 10974297
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
CID 160501939

Frequently Asked Questions

What is the IUPAC name of (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite?
The IUPAC name of (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite (CID 151672758) is (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite?
The canonical SMILES for (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite is CCCCc1cc(CCCC)c(OP(O)O)cc1C.
What is the InChIKey of (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite?
The InChIKey is DUKLTSUTQDLMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-4-6-8-13-11-14(9-7-5-2)15(10-12(13)3)18-19(16)17/h10-11,16-17H,4-9H2,1-3H3.
What are the key properties of (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite?
(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite has a molecular weight of 284.34 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibutyl-5-methylphenyl) dihydrogen phosphite is sourced from PubChem (CID 151672758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).