3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol

C17H20O3 — CID 175226150

IUPAC3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol
SMILESCCOCC(O)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O3/c1-2-20-12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-19H,2,12H2,1H3
InChIKeyZIBRWGCXUGUSKB-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.78
Rot. Bonds6

About 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol

3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol (PubChem CID 175226150) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol
PubChem CID175226150
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol
SMILESCCOCC(O)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O3/c1-2-20-12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-19H,2,12H2,1H3
InChIKeyZIBRWGCXUGUSKB-UHFFFAOYSA-N
XLogP2.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820677
1-(4-phenylphenyl)butane-1,2,4-triol
CID 171873101
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
2-methoxy-1-(4-phenylphenyl)butan-1-ol
CID 116710860
3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
CID 175226142
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
3-[2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-1-(4-hydroxyphenyl)propane-1,2-diol
CID 162349316
4-(4-phenylphenyl)hexan-3-ol
CID 175539403
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
2-bromo-2-ethylsulfonyl-1-(4-phenylphenyl)ethanol
CID 102550046
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
CID 43403695

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol?
The IUPAC name of 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol (CID 175226150) is 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol?
The canonical SMILES for 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol is CCOCC(O)C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol?
The InChIKey is ZIBRWGCXUGUSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-2-20-12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-19H,2,12H2,1H3.
What are the key properties of 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol?
3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol has a molecular weight of 272.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol is sourced from PubChem (CID 175226150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).