1,1,2-triphenylbutan-2-yl dihydrogen phosphite

C22H23O3P — CID 69048743

IUPAC1,1,2-triphenylbutan-2-yl dihydrogen phosphite
SMILESCCC(OP(O)O)(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O3P/c1-2-22(25-26(23)24,20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21,23-24H,2H2,1H3
InChIKeyCBTFQOJHZIZJHL-UHFFFAOYSA-N
MW366.40 g/mol
LogP5.35
Rot. Bonds7

About 1,1,2-triphenylbutan-2-yl dihydrogen phosphite

1,1,2-triphenylbutan-2-yl dihydrogen phosphite (PubChem CID 69048743) has the molecular formula C22H23O3P and a molecular weight of 366.40 g/mol. Its IUPAC name is 1,1,2-triphenylbutan-2-yl dihydrogen phosphite.

Molecular Properties

Compound Name1,1,2-triphenylbutan-2-yl dihydrogen phosphite
PubChem CID69048743
Molecular FormulaC22H23O3P
Molecular Weight366.40 g/mol
Exact Mass366.14
IUPAC Name1,1,2-triphenylbutan-2-yl dihydrogen phosphite
SMILESCCC(OP(O)O)(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O3P/c1-2-22(25-26(23)24,20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21,23-24H,2H2,1H3
InChIKeyCBTFQOJHZIZJHL-UHFFFAOYSA-N
XLogP5.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 55.35
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

5-phenylnonan-5-yl dihydrogen phosphite
CID 126613823
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite
CID 54137988
2-ethoxy-2-methyl-3,3-diphenylpropanoic acid
CID 115590588
4-amino-3-ethoxy-3-phenylbutan-2-ol
CID 13441348
tris(1,1-diphenylpropyl) phosphite
CID 70574153
1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite
CID 21499219
(1-bromo-1,2,2-triphenylethyl)benzene
CID 122414724
(1S,2S,3R)-3-ethyl-2,4-dimethyl-1-phenylpentane-1,3-diol
CID 101126744
2-[1-(2-hydroxyethoxy)-1,2-diphenylpropoxy]ethanol
CID 70602135
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576
(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene
CID 173440563

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenylbutan-2-yl dihydrogen phosphite?
The IUPAC name of 1,1,2-triphenylbutan-2-yl dihydrogen phosphite (CID 69048743) is 1,1,2-triphenylbutan-2-yl dihydrogen phosphite.
What is the SMILES notation for 1,1,2-triphenylbutan-2-yl dihydrogen phosphite?
The canonical SMILES for 1,1,2-triphenylbutan-2-yl dihydrogen phosphite is CCC(OP(O)O)(c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2-triphenylbutan-2-yl dihydrogen phosphite?
The InChIKey is CBTFQOJHZIZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O3P/c1-2-22(25-26(23)24,20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21,23-24H,2H2,1H3.
What are the key properties of 1,1,2-triphenylbutan-2-yl dihydrogen phosphite?
1,1,2-triphenylbutan-2-yl dihydrogen phosphite has a molecular weight of 366.40 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenylbutan-2-yl dihydrogen phosphite is sourced from PubChem (CID 69048743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).