1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol

C15H15FO2 — CID 43506465

IUPAC1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc(F)cc2C(C)O)c1
InChIInChI=1S/C15H15FO2/c1-10-4-3-5-13(8-10)18-15-7-6-12(16)9-14(15)11(2)17/h3-9,11,17H,1-2H3
InChIKeyPOZWFPNEOQMBFZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.98
Rot. Bonds3

About 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol

1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol (PubChem CID 43506465) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
PubChem CID43506465
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc(F)cc2C(C)O)c1
InChIInChI=1S/C15H15FO2/c1-10-4-3-5-13(8-10)18-15-7-6-12(16)9-14(15)11(2)17/h3-9,11,17H,1-2H3
InChIKeyPOZWFPNEOQMBFZ-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(1R)-1-[5-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 63372402
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
CID 78941855
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506272
(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55185417
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol (CID 43506465) is 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol is Cc1cccc(Oc2ccc(F)cc2C(C)O)c1.
What is the InChIKey of 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol?
The InChIKey is POZWFPNEOQMBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-10-4-3-5-13(8-10)18-15-7-6-12(16)9-14(15)11(2)17/h3-9,11,17H,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol?
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol has a molecular weight of 246.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 43506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).