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

C21H20O2 — CID 59738959

IUPAC1,2,3-triphenylpropane-1,3-diol
SMILESOC(c1ccccc1)C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H20O2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-23H
InChIKeyNQSYRLTYZDECMM-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.24
Rot. Bonds5

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

1,2,3-triphenylpropane-1,3-diol (PubChem CID 59738959) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1,2,3-triphenylpropane-1,3-diol.

Molecular Properties

Compound Name1,2,3-triphenylpropane-1,3-diol
PubChem CID59738959
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name1,2,3-triphenylpropane-1,3-diol
SMILESOC(c1ccccc1)C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H20O2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-23H
InChIKeyNQSYRLTYZDECMM-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diphenylethane-1,2-diol
CID 159073808
(1S)-1,2,2-triphenylethanol
CID 38988933
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
2,3,3-triphenylpropane-1,1-diol
CID 57157507
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenylpropane-1,3-diol?
The IUPAC name of 1,2,3-triphenylpropane-1,3-diol (CID 59738959) is 1,2,3-triphenylpropane-1,3-diol.
What is the SMILES notation for 1,2,3-triphenylpropane-1,3-diol?
The canonical SMILES for 1,2,3-triphenylpropane-1,3-diol is OC(c1ccccc1)C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 1,2,3-triphenylpropane-1,3-diol?
The InChIKey is NQSYRLTYZDECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-23H.
What are the key properties of 1,2,3-triphenylpropane-1,3-diol?
1,2,3-triphenylpropane-1,3-diol has a molecular weight of 304.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenylpropane-1,3-diol is sourced from PubChem (CID 59738959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).