1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol

C39H32O2 — CID 160640649

IUPAC1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
SMILESOC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H32O2/c40-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)39(41,36-29-17-6-18-30-36)37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33/h1-30,40-41H
InChIKeyDALJCEKUNQVPTR-UHFFFAOYSA-N
MW532.68 g/mol
LogP7.84
Rot. Bonds8

About 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol

1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol (PubChem CID 160640649) has the molecular formula C39H32O2 and a molecular weight of 532.68 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol.

Molecular Properties

Compound Name1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
PubChem CID160640649
Molecular FormulaC39H32O2
Molecular Weight532.68 g/mol
Exact Mass532.24
IUPAC Name1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
SMILESOC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H32O2/c40-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)39(41,36-29-17-6-18-30-36)37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33/h1-30,40-41H
InChIKeyDALJCEKUNQVPTR-UHFFFAOYSA-N
XLogP7.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
CID 160640648
1,1-diphenylpropane-1,2,2,3-tetrol
CID 54396902
diphenylmethanediol;dihydrochloride
CID 174953837
1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
CID 14401239
4,4-dimethyl-2,3-diphenylpentane-2,3-diol
CID 174973746
3-tritylpentane-1,3,5-triol
CID 139808221
sodium;hydride;triphenylmethanol
CID 174537383
dichloro(phenyl)methanol
CID 25493
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
CID 18615291
1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
CID 139194210

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol?
The IUPAC name of 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol (CID 160640649) is 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol.
What is the SMILES notation for 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol?
The canonical SMILES for 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol is OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol?
The InChIKey is DALJCEKUNQVPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O2/c40-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)39(41,36-29-17-6-18-30-36)37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33/h1-30,40-41H.
What are the key properties of 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol?
1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol has a molecular weight of 532.68 g/mol, XLogP of 7.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol is sourced from PubChem (CID 160640649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).