1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol

C11H15FO4 — CID 170818159

IUPAC1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
SMILESCCOc1ccc(C(O)C(O)CO)c(F)c1
InChIInChI=1S/C11H15FO4/c1-2-16-7-3-4-8(9(12)5-7)11(15)10(14)6-13/h3-5,10-11,13-15H,2,6H2,1H3
InChIKeyMMCBYLTZJXCIME-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.61
Rot. Bonds5

About 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol

1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol (PubChem CID 170818159) has the molecular formula C11H15FO4 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
PubChem CID170818159
Molecular FormulaC11H15FO4
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
SMILESCCOc1ccc(C(O)C(O)CO)c(F)c1
InChIInChI=1S/C11H15FO4/c1-2-16-7-3-4-8(9(12)5-7)11(15)10(14)6-13/h3-5,10-11,13-15H,2,6H2,1H3
InChIKeyMMCBYLTZJXCIME-UHFFFAOYSA-N
XLogP0.61
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
4-bromo-1-(4-ethoxy-2-fluorophenyl)butane-1,2-diol
CID 171892326
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol
CID 164892826
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
CID 103395382
ethyl 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanoate
CID 171898262
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
4-(2-fluoro-4-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877553

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol?
The IUPAC name of 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol (CID 170818159) is 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol is CCOc1ccc(C(O)C(O)CO)c(F)c1.
What is the InChIKey of 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol?
The InChIKey is MMCBYLTZJXCIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4/c1-2-16-7-3-4-8(9(12)5-7)11(15)10(14)6-13/h3-5,10-11,13-15H,2,6H2,1H3.
What are the key properties of 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol?
1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol has a molecular weight of 230.23 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol is sourced from PubChem (CID 170818159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).