1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol

C10H13FO4 — CID 170817736

IUPAC1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1ccc(C(O)C(O)CO)c(F)c1
InChIInChI=1S/C10H13FO4/c1-15-6-2-3-7(8(11)4-6)10(14)9(13)5-12/h2-4,9-10,12-14H,5H2,1H3
InChIKeyBXBAKJDWNDOJRL-UHFFFAOYSA-N
MW216.21 g/mol
LogP0.22
Rot. Bonds4

About 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol

1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol (PubChem CID 170817736) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
PubChem CID170817736
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Name1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1ccc(C(O)C(O)CO)c(F)c1
InChIInChI=1S/C10H13FO4/c1-15-6-2-3-7(8(11)4-6)10(14)9(13)5-12/h2-4,9-10,12-14H,5H2,1H3
InChIKeyBXBAKJDWNDOJRL-UHFFFAOYSA-N
XLogP0.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
CID 170818159
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
4-(2-fluoro-4-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877553
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
CID 103395382
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
3-(2-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870108
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
(1S,2R)-1-amino-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-2-ol
CID 171161424
2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde
CID 103395038
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol (CID 170817736) is 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol is COc1ccc(C(O)C(O)CO)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol?
The InChIKey is BXBAKJDWNDOJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4/c1-15-6-2-3-7(8(11)4-6)10(14)9(13)5-12/h2-4,9-10,12-14H,5H2,1H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol?
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol has a molecular weight of 216.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).