[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol

C16H17FO3 — CID 107665951

IUPAC[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
SMILESCCc1ccc(Oc2cc(F)cc(CO)c2)c(OC)c1
InChIInChI=1S/C16H17FO3/c1-3-11-4-5-15(16(8-11)19-2)20-14-7-12(10-18)6-13(17)9-14/h4-9,18H,3,10H2,1-2H3
InChIKeyRJNHJXQQILDASX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.68
Rot. Bonds5

About [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol

[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol (PubChem CID 107665951) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
PubChem CID107665951
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
SMILESCCc1ccc(Oc2cc(F)cc(CO)c2)c(OC)c1
InChIInChI=1S/C16H17FO3/c1-3-11-4-5-15(16(8-11)19-2)20-14-7-12(10-18)6-13(17)9-14/h4-9,18H,3,10H2,1-2H3
InChIKeyRJNHJXQQILDASX-UHFFFAOYSA-N
XLogP3.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-butylphenoxy)-5-fluorophenyl]methanol
CID 106530226
[3-fluoro-5-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 106530242
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
4-[3-(chloromethyl)-5-fluorophenoxy]-3-methoxybenzonitrile
CID 106530597
5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
CID 107666217
[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
CID 106530155
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
CID 106530108
[3-(2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 106530200
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
CID 106530139

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol (CID 107665951) is [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol is CCc1ccc(Oc2cc(F)cc(CO)c2)c(OC)c1.
What is the InChIKey of [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol?
The InChIKey is RJNHJXQQILDASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-3-11-4-5-15(16(8-11)19-2)20-14-7-12(10-18)6-13(17)9-14/h4-9,18H,3,10H2,1-2H3.
What are the key properties of [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol?
[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol has a molecular weight of 276.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 107665951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).