1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol

C22H22O4 — CID 14066931

IUPAC1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1ccc(C(O)C(O)c2ccccc2)cc1
InChIInChI=1S/C22H22O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14,19-26H
InChIKeyXZXFDIQXPBUEBC-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.22
Rot. Bonds6

About 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol

1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol (PubChem CID 14066931) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol.

Molecular Properties

Compound Name1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
PubChem CID14066931
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1ccc(C(O)C(O)c2ccccc2)cc1
InChIInChI=1S/C22H22O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14,19-26H
InChIKeyXZXFDIQXPBUEBC-UHFFFAOYSA-N
XLogP3.22
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219
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)-2,2-difluoro-1-phenylethanol
CID 12955760
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol?
The IUPAC name of 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol (CID 14066931) is 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol.
What is the SMILES notation for 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol?
The canonical SMILES for 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol is OC(c1ccccc1)C(O)c1ccc(C(O)C(O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol?
The InChIKey is XZXFDIQXPBUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14,19-26H.
What are the key properties of 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol?
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol has a molecular weight of 350.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol is sourced from PubChem (CID 14066931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).