2,2,3-triphenylbutane-1,1,1-triol

C22H22O3 — CID 19424795

IUPAC2,2,3-triphenylbutane-1,1,1-triol
SMILESCC(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(O)(O)O
InChIInChI=1S/C22H22O3/c1-17(18-11-5-2-6-12-18)21(22(23,24)25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,23-25H,1H3
InChIKeyPXBGWQIJUJZFDW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.41
Rot. Bonds5

About 2,2,3-triphenylbutane-1,1,1-triol

2,2,3-triphenylbutane-1,1,1-triol (PubChem CID 19424795) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,2,3-triphenylbutane-1,1,1-triol.

Molecular Properties

Compound Name2,2,3-triphenylbutane-1,1,1-triol
PubChem CID19424795
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2,2,3-triphenylbutane-1,1,1-triol
SMILESCC(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(O)(O)O
InChIInChI=1S/C22H22O3/c1-17(18-11-5-2-6-12-18)21(22(23,24)25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,23-25H,1H3
InChIKeyPXBGWQIJUJZFDW-UHFFFAOYSA-N
XLogP3.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 68615274
1,1,2-triphenylpropane-1-thiol
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CID 57268598
1,1-dimethoxy-2-phenylpropan-1-ol
CID 102056743
methyl(1,1,2-triphenylpropyl)phosphane
CID 69389648
bis(tert-butylbenzene);cumene;phenol
CID 161465137
[(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene
CID 118652854
1,1,2-triphenyl-N-silylpropan-1-amine
CID 173425344
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
CID 10261932
2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157

Frequently Asked Questions

What is the IUPAC name of 2,2,3-triphenylbutane-1,1,1-triol?
The IUPAC name of 2,2,3-triphenylbutane-1,1,1-triol (CID 19424795) is 2,2,3-triphenylbutane-1,1,1-triol.
What is the SMILES notation for 2,2,3-triphenylbutane-1,1,1-triol?
The canonical SMILES for 2,2,3-triphenylbutane-1,1,1-triol is CC(c1ccccc1)C(c1ccccc1)(c1ccccc1)C(O)(O)O.
What is the InChIKey of 2,2,3-triphenylbutane-1,1,1-triol?
The InChIKey is PXBGWQIJUJZFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-17(18-11-5-2-6-12-18)21(22(23,24)25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,23-25H,1H3.
What are the key properties of 2,2,3-triphenylbutane-1,1,1-triol?
2,2,3-triphenylbutane-1,1,1-triol has a molecular weight of 334.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triphenylbutane-1,1,1-triol is sourced from PubChem (CID 19424795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).