[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol

C15H15FO3 — CID 102939875

IUPAC[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol
SMILESOCc1cccc(F)c1OCOCc1ccccc1
InChIInChI=1S/C15H15FO3/c16-14-8-4-7-13(9-17)15(14)19-11-18-10-12-5-2-1-3-6-12/h1-8,17H,9-11H2
InChIKeyKNXKTESLCNOKOD-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.87
Rot. Bonds6

About [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol

[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol (PubChem CID 102939875) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol
PubChem CID102939875
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol
SMILESOCc1cccc(F)c1OCOCc1ccccc1
InChIInChI=1S/C15H15FO3/c16-14-8-4-7-13(9-17)15(14)19-11-18-10-12-5-2-1-3-6-12/h1-8,17H,9-11H2
InChIKeyKNXKTESLCNOKOD-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
[4-(phenylmethoxymethyl)naphthalen-1-yl]methanol
CID 146459770
[3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 112613013
[2-(phenylmethoxymethyl)phenyl]methanol
CID 54193166
1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
CID 102939932
5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene
CID 102939947
[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methanol
CID 112613201
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol
CID 112749411
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanol
CID 102939888

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol (CID 102939875) is [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol is OCc1cccc(F)c1OCOCc1ccccc1.
What is the InChIKey of [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol?
The InChIKey is KNXKTESLCNOKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c16-14-8-4-7-13(9-17)15(14)19-11-18-10-12-5-2-1-3-6-12/h1-8,17H,9-11H2.
What are the key properties of [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol?
[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol has a molecular weight of 262.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol is sourced from PubChem (CID 102939875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).