1,1-diphenylpropane-1,2,2,3-tetrol

C15H16O4 — CID 54396902

IUPAC1,1-diphenylpropane-1,2,2,3-tetrol
SMILESOCC(O)(O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O4/c16-11-14(17,18)15(19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16-19H,11H2
InChIKeyVKPZXSARSYVYSN-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.60
Rot. Bonds4

About 1,1-diphenylpropane-1,2,2,3-tetrol

1,1-diphenylpropane-1,2,2,3-tetrol (PubChem CID 54396902) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,1-diphenylpropane-1,2,2,3-tetrol.

Molecular Properties

Compound Name1,1-diphenylpropane-1,2,2,3-tetrol
PubChem CID54396902
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1,1-diphenylpropane-1,2,2,3-tetrol
SMILESOCC(O)(O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O4/c16-11-14(17,18)15(19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16-19H,11H2
InChIKeyVKPZXSARSYVYSN-UHFFFAOYSA-N
XLogP0.60
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

gold(1+);2-phenylpropane-1,2-diol
CID 88672185
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
CID 160640649
(1,2,3-trihydroxy-1,1-diphenylpropan-2-yl) propanoate
CID 139965349
2-benzyl-1,1,3-triphenyl-2-sulfanylpropan-1-ol
CID 154130400
2,2-difluoro-1,1,3-triphenylpropan-1-ol
CID 54590336
diphenylmethanediol;dihydrochloride
CID 174953837
2,3-dibromo-2-phenylpropan-1-ol
CID 10424492
2-chloro-2-phenylpropan-1-ol
CID 21408065
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
6-phenylheptane-1,6-diol
CID 11310303

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpropane-1,2,2,3-tetrol?
The IUPAC name of 1,1-diphenylpropane-1,2,2,3-tetrol (CID 54396902) is 1,1-diphenylpropane-1,2,2,3-tetrol.
What is the SMILES notation for 1,1-diphenylpropane-1,2,2,3-tetrol?
The canonical SMILES for 1,1-diphenylpropane-1,2,2,3-tetrol is OCC(O)(O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpropane-1,2,2,3-tetrol?
The InChIKey is VKPZXSARSYVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c16-11-14(17,18)15(19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16-19H,11H2.
What are the key properties of 1,1-diphenylpropane-1,2,2,3-tetrol?
1,1-diphenylpropane-1,2,2,3-tetrol has a molecular weight of 260.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpropane-1,2,2,3-tetrol is sourced from PubChem (CID 54396902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).