3-tritylpentane-1,3,5-triol

C24H26O3 — CID 139808221

IUPAC3-tritylpentane-1,3,5-triol
SMILESOCCC(O)(CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O3/c25-18-16-23(27,17-19-26)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,25-27H,16-19H2
InChIKeyNDHLHRAGQLXWOP-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.52
Rot. Bonds8

About 3-tritylpentane-1,3,5-triol

3-tritylpentane-1,3,5-triol (PubChem CID 139808221) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-tritylpentane-1,3,5-triol.

Molecular Properties

Compound Name3-tritylpentane-1,3,5-triol
PubChem CID139808221
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name3-tritylpentane-1,3,5-triol
SMILESOCCC(O)(CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O3/c25-18-16-23(27,17-19-26)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,25-27H,16-19H2
InChIKeyNDHLHRAGQLXWOP-UHFFFAOYSA-N
XLogP3.52
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
6-phenylheptane-1,6-diol
CID 11310303
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
13,13,13-triphenyltridecan-1-ol
CID 150406449
5-methyl-3-phenylhex-5-ene-1,3-diol
CID 90346624
3,13-dimethyl-3,13-diphenylpentadecane-1,8,15-triol
CID 59660113
1,1,1-triphenyl-2-sulfanylheptan-2-ol
CID 129116461
3,15-dimethyl-3,15-diphenylheptadecane-1,9,17-triol
CID 59660095
sodium;hydride;triphenylmethanol
CID 174537383

Frequently Asked Questions

What is the IUPAC name of 3-tritylpentane-1,3,5-triol?
The IUPAC name of 3-tritylpentane-1,3,5-triol (CID 139808221) is 3-tritylpentane-1,3,5-triol.
What is the SMILES notation for 3-tritylpentane-1,3,5-triol?
The canonical SMILES for 3-tritylpentane-1,3,5-triol is OCCC(O)(CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-tritylpentane-1,3,5-triol?
The InChIKey is NDHLHRAGQLXWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c25-18-16-23(27,17-19-26)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,25-27H,16-19H2.
What are the key properties of 3-tritylpentane-1,3,5-triol?
3-tritylpentane-1,3,5-triol has a molecular weight of 362.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tritylpentane-1,3,5-triol is sourced from PubChem (CID 139808221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).