1,2-diphenylethane-1,2-diol

C28H28O4 — CID 159073808

IUPAC1,2-diphenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1ccccc1.OC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/2C14H14O2/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h2*1-10,13-16H
InChIKeyJZZMYFXHAZMZOO-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.91
Rot. Bonds6

About 1,2-diphenylethane-1,2-diol

1,2-diphenylethane-1,2-diol (PubChem CID 159073808) has the molecular formula C28H28O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1,2-diphenylethane-1,2-diol.

Molecular Properties

Compound Name1,2-diphenylethane-1,2-diol
PubChem CID159073808
Molecular FormulaC28H28O4
Molecular Weight428.53 g/mol
Exact Mass428.20
IUPAC Name1,2-diphenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1ccccc1.OC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/2C14H14O2/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h2*1-10,13-16H
InChIKeyJZZMYFXHAZMZOO-UHFFFAOYSA-N
XLogP4.91
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
benzene;2-phenylethane-1,1,2-triol
CID 174439943
1,2,3-triphenylpropane-1,3-diol
CID 59738959
(1S)-1,2,2-triphenylethanol
CID 38988933
(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
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethane-1,2-diol?
The IUPAC name of 1,2-diphenylethane-1,2-diol (CID 159073808) is 1,2-diphenylethane-1,2-diol.
What is the SMILES notation for 1,2-diphenylethane-1,2-diol?
The canonical SMILES for 1,2-diphenylethane-1,2-diol is OC(c1ccccc1)C(O)c1ccccc1.OC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 1,2-diphenylethane-1,2-diol?
The InChIKey is JZZMYFXHAZMZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14O2/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h2*1-10,13-16H.
What are the key properties of 1,2-diphenylethane-1,2-diol?
1,2-diphenylethane-1,2-diol has a molecular weight of 428.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethane-1,2-diol is sourced from PubChem (CID 159073808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).