1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol

C14H16FNO4 — CID 123885407

IUPAC1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol
SMILESCC(O)c1cc(F)ccc1OCCn1c(O)ccc1O
InChIInChI=1S/C14H16FNO4/c1-9(17)11-8-10(15)2-3-12(11)20-7-6-16-13(18)4-5-14(16)19/h2-5,8-9,17-19H,6-7H2,1H3
InChIKeySGJSQYYZCXVAAK-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.17
Rot. Bonds5

About 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol

1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol (PubChem CID 123885407) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol
PubChem CID123885407
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol
SMILESCC(O)c1cc(F)ccc1OCCn1c(O)ccc1O
InChIInChI=1S/C14H16FNO4/c1-9(17)11-8-10(15)2-3-12(11)20-7-6-16-13(18)4-5-14(16)19/h2-5,8-9,17-19H,6-7H2,1H3
InChIKeySGJSQYYZCXVAAK-UHFFFAOYSA-N
XLogP2.17
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(5-Fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3,4,7-tetrol
CID 91031001
1-[(3,5-Difluorophenyl)methyl]-3-[3-(4-methoxyphenyl)propyl]pyrrole-2,5-diol
CID 91184311
1-[3-[4-(5-Fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol
CID 91259004
1-[3-[4-(3-Fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol
CID 91616997
1-(Hydroxymethyl)-3-(4-propan-2-yloxyphenyl)pyrrole-2,5-diol
CID 123639514
(5-Fluoro-2-pyridin-3-yloxyphenyl)methanol
CID 43313478
1-(2-Fluoro-6-pyridin-3-yloxyphenyl)ethanol
CID 43506588
1-(5-Fluoro-2-pyridin-3-yloxyphenyl)ethanol
CID 43506592
1-(5-Fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
CID 46968092
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
CID 51596563
(1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
CID 51596565
1-[4-Fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanol
CID 55167486

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol?
The IUPAC name of 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol (CID 123885407) is 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol is CC(O)c1cc(F)ccc1OCCn1c(O)ccc1O.
What is the InChIKey of 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol?
The InChIKey is SGJSQYYZCXVAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9(17)11-8-10(15)2-3-12(11)20-7-6-16-13(18)4-5-14(16)19/h2-5,8-9,17-19H,6-7H2,1H3.
What are the key properties of 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol?
1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol has a molecular weight of 281.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]ethyl]pyrrole-2,5-diol is sourced from PubChem (CID 123885407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).