(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite

C10H15O4P — CID 175040177

IUPAC(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
SMILESCC(C)(C)c1cc(OP(O)O)ccc1O
InChIInChI=1S/C10H15O4P/c1-10(2,3)8-6-7(14-15(12)13)4-5-9(8)11/h4-6,11-13H,1-3H3
InChIKeyRFXVGZPXCKVTRV-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.28
Rot. Bonds2

About (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite

(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite (PubChem CID 175040177) has the molecular formula C10H15O4P and a molecular weight of 230.20 g/mol. Its IUPAC name is (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
PubChem CID175040177
Molecular FormulaC10H15O4P
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Name(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
SMILESCC(C)(C)c1cc(OP(O)O)ccc1O
InChIInChI=1S/C10H15O4P/c1-10(2,3)8-6-7(14-15(12)13)4-5-9(8)11/h4-6,11-13H,1-3H3
InChIKeyRFXVGZPXCKVTRV-UHFFFAOYSA-N
XLogP2.28
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.28
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

2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
CID 14974322
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161
2-tert-butyl-4-(4-methoxyphenyl)phenol
CID 135087141
[4-(2,4-ditert-butylphenyl)phenyl] dihydrogen phosphite
CID 175051245
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
2-tert-butyl-4-propan-2-ylphenol
CID 24240
4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
CID 54454280
bis(2,4-ditert-butylphenol);[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
CID 159990326

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite?
The IUPAC name of (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite (CID 175040177) is (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite.
What is the SMILES notation for (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite?
The canonical SMILES for (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite is CC(C)(C)c1cc(OP(O)O)ccc1O.
What is the InChIKey of (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite?
The InChIKey is RFXVGZPXCKVTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4P/c1-10(2,3)8-6-7(14-15(12)13)4-5-9(8)11/h4-6,11-13H,1-3H3.
What are the key properties of (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite?
(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite has a molecular weight of 230.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite is sourced from PubChem (CID 175040177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).