2-ethenyl-1,3-diphenylpropane-1,3-diol

C17H18O2 — CID 11821143

IUPAC2-ethenyl-1,3-diphenylpropane-1,3-diol
SMILESC=CC(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-2-15(16(18)13-9-5-3-6-10-13)17(19)14-11-7-4-8-12-14/h2-12,15-19H,1H2
InChIKeyCJBAJFPGTDZACG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.26
Rot. Bonds5

About 2-ethenyl-1,3-diphenylpropane-1,3-diol

2-ethenyl-1,3-diphenylpropane-1,3-diol (PubChem CID 11821143) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-ethenyl-1,3-diphenylpropane-1,3-diol.

Molecular Properties

Compound Name2-ethenyl-1,3-diphenylpropane-1,3-diol
PubChem CID11821143
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-ethenyl-1,3-diphenylpropane-1,3-diol
SMILESC=CC(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-2-15(16(18)13-9-5-3-6-10-13)17(19)14-11-7-4-8-12-14/h2-12,15-19H,1H2
InChIKeyCJBAJFPGTDZACG-UHFFFAOYSA-N
XLogP3.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
1,2-diphenylethane-1,2-diol
CID 159073808
benzene;1-phenylprop-2-en-1-ol
CID 174884403
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
1,1-diphenylbut-3-en-2-ol
CID 88826241
2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol
CID 102148405
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol
CID 139262045
1,2,3-triphenylpropane-1,3-diol
CID 59738959
(1S)-1,2,2-triphenylethanol
CID 38988933
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3-diphenylpropane-1,3-diol?
The IUPAC name of 2-ethenyl-1,3-diphenylpropane-1,3-diol (CID 11821143) is 2-ethenyl-1,3-diphenylpropane-1,3-diol.
What is the SMILES notation for 2-ethenyl-1,3-diphenylpropane-1,3-diol?
The canonical SMILES for 2-ethenyl-1,3-diphenylpropane-1,3-diol is C=CC(C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-ethenyl-1,3-diphenylpropane-1,3-diol?
The InChIKey is CJBAJFPGTDZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-15(16(18)13-9-5-3-6-10-13)17(19)14-11-7-4-8-12-14/h2-12,15-19H,1H2.
What are the key properties of 2-ethenyl-1,3-diphenylpropane-1,3-diol?
2-ethenyl-1,3-diphenylpropane-1,3-diol has a molecular weight of 254.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3-diphenylpropane-1,3-diol is sourced from PubChem (CID 11821143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).