[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol

C16H17FO3 — CID 107690963

IUPAC[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
SMILESOCc1ccc(OCCCOc2ccccc2)c(F)c1
InChIInChI=1S/C16H17FO3/c17-15-11-13(12-18)7-8-16(15)20-10-4-9-19-14-5-2-1-3-6-14/h1-3,5-8,11,18H,4,9-10,12H2
InChIKeyXFFIAUPBEQHONJ-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.17
Rot. Bonds7

About [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol

[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol (PubChem CID 107690963) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
PubChem CID107690963
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
SMILESOCc1ccc(OCCCOc2ccccc2)c(F)c1
InChIInChI=1S/C16H17FO3/c17-15-11-13(12-18)7-8-16(15)20-10-4-9-19-14-5-2-1-3-6-14/h1-3,5-8,11,18H,4,9-10,12H2
InChIKeyXFFIAUPBEQHONJ-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
CID 55146760
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943
[4-(3-ethylsulfonylpropoxy)-3-fluorophenyl]methanol
CID 107690484
2,5-difluoro-4-(3-phenoxypropoxy)aniline
CID 63599001
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
CID 107690662
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393
2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol
CID 154628107

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol (CID 107690963) is [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol is OCc1ccc(OCCCOc2ccccc2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol?
The InChIKey is XFFIAUPBEQHONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c17-15-11-13(12-18)7-8-16(15)20-10-4-9-19-14-5-2-1-3-6-14/h1-3,5-8,11,18H,4,9-10,12H2.
What are the key properties of [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol?
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol has a molecular weight of 276.31 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol is sourced from PubChem (CID 107690963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).