[1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite

C12H19O4P — CID 22386311

IUPAC[1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite
SMILESCC(C)(C)c1ccc(C(CO)OP(O)O)cc1
InChIInChI=1S/C12H19O4P/c1-12(2,3)10-6-4-9(5-7-10)11(8-13)16-17(14)15/h4-7,11,13-15H,8H2,1-3H3
InChIKeyUCGKPXZMXRIOPI-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.25
Rot. Bonds4

About [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite

[1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite (PubChem CID 22386311) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite
PubChem CID22386311
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name[1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite
SMILESCC(C)(C)c1ccc(C(CO)OP(O)O)cc1
InChIInChI=1S/C12H19O4P/c1-12(2,3)10-6-4-9(5-7-10)11(8-13)16-17(14)15/h4-7,11,13-15H,8H2,1-3H3
InChIKeyUCGKPXZMXRIOPI-UHFFFAOYSA-N
XLogP2.25
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
dihydroxyphosphanyl dihydrogen phosphite;1,1,3-tris(4-tert-butylphenyl)-2,2-bis(hydroxymethyl)propane-1,3-diol
CID 175739061
(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid
CID 129412348
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
CID 59446202
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
(2R)-3-[(S)-[(1S)-1-(4-tert-butylphenyl)ethyl]sulfinyl]propane-1,2-diol
CID 11860258

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite?
The IUPAC name of [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite (CID 22386311) is [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite.
What is the SMILES notation for [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite?
The canonical SMILES for [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite is CC(C)(C)c1ccc(C(CO)OP(O)O)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite?
The InChIKey is UCGKPXZMXRIOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-12(2,3)10-6-4-9(5-7-10)11(8-13)16-17(14)15/h4-7,11,13-15H,8H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite?
[1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite has a molecular weight of 258.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-2-hydroxyethyl] dihydrogen phosphite is sourced from PubChem (CID 22386311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).