[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol

C16H17FO3 — CID 106530155

IUPAC[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
SMILESCOCCc1ccc(Oc2cc(F)cc(CO)c2)cc1
InChIInChI=1S/C16H17FO3/c1-19-7-6-12-2-4-15(5-3-12)20-16-9-13(11-18)8-14(17)10-16/h2-5,8-10,18H,6-7,11H2,1H3
InChIKeyNTJKBNSFRBZRDH-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.30
Rot. Bonds6

About [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol

[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol (PubChem CID 106530155) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
PubChem CID106530155
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
SMILESCOCCc1ccc(Oc2cc(F)cc(CO)c2)cc1
InChIInChI=1S/C16H17FO3/c1-19-7-6-12-2-4-15(5-3-12)20-16-9-13(11-18)8-14(17)10-16/h2-5,8-10,18H,6-7,11H2,1H3
InChIKeyNTJKBNSFRBZRDH-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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-methoxyphenyl)methanol
CID 26985456
[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
CID 106530170
[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
CID 107665951
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
CID 102814582
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
[3-fluoro-5-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 106530242
[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
CID 106530131
(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938709
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone
CID 43244939
3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
CID 115980186

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol?
The IUPAC name of [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol (CID 106530155) is [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol is COCCc1ccc(Oc2cc(F)cc(CO)c2)cc1.
What is the InChIKey of [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol?
The InChIKey is NTJKBNSFRBZRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-19-7-6-12-2-4-15(5-3-12)20-16-9-13(11-18)8-14(17)10-16/h2-5,8-10,18H,6-7,11H2,1H3.
What are the key properties of [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol?
[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol has a molecular weight of 276.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 106530155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).