[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol

C16H17FO3 — CID 43313473

IUPAC[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol
SMILESCCCOc1ccc(Oc2ccc(F)cc2CO)cc1
InChIInChI=1S/C16H17FO3/c1-2-9-19-14-4-6-15(7-5-14)20-16-8-3-13(17)10-12(16)11-18/h3-8,10,18H,2,9,11H2,1H3
InChIKeyGENFDAXNCVCEPV-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.90
Rot. Bonds6

About [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol

[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol (PubChem CID 43313473) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol
PubChem CID43313473
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol
SMILESCCCOc1ccc(Oc2ccc(F)cc2CO)cc1
InChIInChI=1S/C16H17FO3/c1-2-9-19-14-4-6-15(7-5-14)20-16-8-3-13(17)10-12(16)11-18/h3-8,10,18H,2,9,11H2,1H3
InChIKeyGENFDAXNCVCEPV-UHFFFAOYSA-N
XLogP3.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
CID 63815036
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
CID 43174104
4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide
CID 43313468
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293
[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659
[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
CID 107698407
2-fluoro-6-[2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857665

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol (CID 43313473) is [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol is CCCOc1ccc(Oc2ccc(F)cc2CO)cc1.
What is the InChIKey of [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol?
The InChIKey is GENFDAXNCVCEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-2-9-19-14-4-6-15(7-5-14)20-16-8-3-13(17)10-12(16)11-18/h3-8,10,18H,2,9,11H2,1H3.
What are the key properties of [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol?
[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol has a molecular weight of 276.31 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol is sourced from PubChem (CID 43313473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).