[2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol

C21H17FO3 — CID 4042958

IUPAC[2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)cc(CO)c1OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17FO3/c22-15-9-13(11-23)20(14(10-15)12-24)25-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,21,23-24H,11-12H2
InChIKeyCGGIDKGFZJYSCI-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.96
Rot. Bonds4

About [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol

[2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol (PubChem CID 4042958) has the molecular formula C21H17FO3 and a molecular weight of 336.36 g/mol. Its IUPAC name is [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol
PubChem CID4042958
Molecular FormulaC21H17FO3
Molecular Weight336.36 g/mol
Exact Mass336.12
IUPAC Name[2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)cc(CO)c1OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17FO3/c22-15-9-13(11-23)20(14(10-15)12-24)25-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,21,23-24H,11-12H2
InChIKeyCGGIDKGFZJYSCI-UHFFFAOYSA-N
XLogP3.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol (CID 4042958) is [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol is OCc1cc(F)cc(CO)c1OC1c2ccccc2-c2ccccc21.
What is the InChIKey of [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The InChIKey is CGGIDKGFZJYSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO3/c22-15-9-13(11-23)20(14(10-15)12-24)25-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,21,23-24H,11-12H2.
What are the key properties of [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
[2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol has a molecular weight of 336.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 4042958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).