(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol

C16H17FO3 — CID 107720224

IUPAC(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCOCc2ccccc2)cc1F
InChIInChI=1S/C16H17FO3/c1-12(18)15-8-7-14(9-16(15)17)20-11-19-10-13-5-3-2-4-6-13/h2-9,12,18H,10-11H2,1H3/t12-/m1/s1
InChIKeyLFDOLJWAHGVATA-GFCCVEGCSA-N
MW276.31 g/mol
LogP3.43
Rot. Bonds6

About (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol

(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol (PubChem CID 107720224) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
PubChem CID107720224
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCOCc2ccccc2)cc1F
InChIInChI=1S/C16H17FO3/c1-12(18)15-8-7-14(9-16(15)17)20-11-19-10-13-5-3-2-4-6-13/h2-9,12,18H,10-11H2,1H3/t12-/m1/s1
InChIKeyLFDOLJWAHGVATA-GFCCVEGCSA-N
XLogP3.43
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 ≤ 53.43
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

(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939866
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
(1S)-1-[2-fluoro-4-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 107720667
4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid
CID 107719952
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol (CID 107720224) is (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(OCOCc2ccccc2)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol?
The InChIKey is LFDOLJWAHGVATA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FO3/c1-12(18)15-8-7-14(9-16(15)17)20-11-19-10-13-5-3-2-4-6-13/h2-9,12,18H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol?
(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 107720224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).