[3-(4-butylphenoxy)-5-fluorophenyl]methanol

C17H19FO2 — CID 106530226

IUPAC[3-(4-butylphenoxy)-5-fluorophenyl]methanol
SMILESCCCCc1ccc(Oc2cc(F)cc(CO)c2)cc1
InChIInChI=1S/C17H19FO2/c1-2-3-4-13-5-7-16(8-6-13)20-17-10-14(12-19)9-15(18)11-17/h5-11,19H,2-4,12H2,1H3
InChIKeyRVRRAJUJQYQFNZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.45
Rot. Bonds6

About [3-(4-butylphenoxy)-5-fluorophenyl]methanol

[3-(4-butylphenoxy)-5-fluorophenyl]methanol (PubChem CID 106530226) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is [3-(4-butylphenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(4-butylphenoxy)-5-fluorophenyl]methanol
PubChem CID106530226
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name[3-(4-butylphenoxy)-5-fluorophenyl]methanol
SMILESCCCCc1ccc(Oc2cc(F)cc(CO)c2)cc1
InChIInChI=1S/C17H19FO2/c1-2-3-4-13-5-7-16(8-6-13)20-17-10-14(12-19)9-15(18)11-17/h5-11,19H,2-4,12H2,1H3
InChIKeyRVRRAJUJQYQFNZ-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
CID 106530155
[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
CID 107665951
[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
CID 106530170
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
(3-butoxy-5-butylphenyl)methanol
CID 118269486
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
CID 106530131
[3-fluoro-5-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 106530242
3-(4-butylphenoxy)-5-methylaniline
CID 112648538
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415

Frequently Asked Questions

What is the IUPAC name of [3-(4-butylphenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [3-(4-butylphenoxy)-5-fluorophenyl]methanol (CID 106530226) is [3-(4-butylphenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(4-butylphenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(4-butylphenoxy)-5-fluorophenyl]methanol is CCCCc1ccc(Oc2cc(F)cc(CO)c2)cc1.
What is the InChIKey of [3-(4-butylphenoxy)-5-fluorophenyl]methanol?
The InChIKey is RVRRAJUJQYQFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-2-3-4-13-5-7-16(8-6-13)20-17-10-14(12-19)9-15(18)11-17/h5-11,19H,2-4,12H2,1H3.
What are the key properties of [3-(4-butylphenoxy)-5-fluorophenyl]methanol?
[3-(4-butylphenoxy)-5-fluorophenyl]methanol has a molecular weight of 274.34 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butylphenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 106530226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).