2,3,3-triphenylpropane-1,1-diol

C21H20O2 — CID 57157507

IUPAC2,3,3-triphenylpropane-1,1-diol
SMILESOC(O)C(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O2/c22-21(23)20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-23H
InChIKeyHCRSAYKTQFTRCG-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.91
Rot. Bonds5

About 2,3,3-triphenylpropane-1,1-diol

2,3,3-triphenylpropane-1,1-diol (PubChem CID 57157507) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,3,3-triphenylpropane-1,1-diol.

Molecular Properties

Compound Name2,3,3-triphenylpropane-1,1-diol
PubChem CID57157507
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name2,3,3-triphenylpropane-1,1-diol
SMILESOC(O)C(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O2/c22-21(23)20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-23H
InChIKeyHCRSAYKTQFTRCG-UHFFFAOYSA-N
XLogP3.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1,2,2-triphenylethanol
CID 38988933
(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
1,2,3-triphenylpropane-1,3-diol
CID 59738959
benzene;2-phenylethane-1,1,2-triol
CID 174439943
1,2-diphenylethane-1,2-diol
CID 159073808
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
sodium 1-hydroxy-2,2-diphenylethanesulfonate
CID 107292870
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
1,1-diphenylbut-3-en-2-ol
CID 88826241
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
benzene;1-phenylprop-2-en-1-ol
CID 174884403
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674

Frequently Asked Questions

What is the IUPAC name of 2,3,3-triphenylpropane-1,1-diol?
The IUPAC name of 2,3,3-triphenylpropane-1,1-diol (CID 57157507) is 2,3,3-triphenylpropane-1,1-diol.
What is the SMILES notation for 2,3,3-triphenylpropane-1,1-diol?
The canonical SMILES for 2,3,3-triphenylpropane-1,1-diol is OC(O)C(c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3,3-triphenylpropane-1,1-diol?
The InChIKey is HCRSAYKTQFTRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c22-21(23)20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-23H.
What are the key properties of 2,3,3-triphenylpropane-1,1-diol?
2,3,3-triphenylpropane-1,1-diol has a molecular weight of 304.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triphenylpropane-1,1-diol is sourced from PubChem (CID 57157507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).