(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol

C16H17FO3 — CID 102939866

IUPAC(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1OCOCc1ccccc1
InChIInChI=1S/C16H17FO3/c1-12(18)15-9-14(17)7-8-16(15)20-11-19-10-13-5-3-2-4-6-13/h2-9,12,18H,10-11H2,1H3/t12-/m0/s1
InChIKeyRLDRIXHRQIKSHL-LBPRGKRZSA-N
MW276.31 g/mol
LogP3.43
Rot. Bonds6

About (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol

(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol (PubChem CID 102939866) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
PubChem CID102939866
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1OCOCc1ccccc1
InChIInChI=1S/C16H17FO3/c1-12(18)15-9-14(17)7-8-16(15)20-11-19-10-13-5-3-2-4-6-13/h2-9,12,18H,10-11H2,1H3/t12-/m0/s1
InChIKeyRLDRIXHRQIKSHL-LBPRGKRZSA-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-[4-bromo-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102948849
(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
CID 107720224
5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
CID 118142400
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
(1R)-1-[5-bromo-2-(phenylmethoxymethoxy)phenyl]ethanamine
CID 102939496
1-[5-chloro-2-(phenylmethoxymethoxy)phenyl]ethanamine
CID 102939463
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
CID 104792501
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol (CID 102939866) is (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol is C[C@H](O)c1cc(F)ccc1OCOCc1ccccc1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol?
The InChIKey is RLDRIXHRQIKSHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FO3/c1-12(18)15-9-14(17)7-8-16(15)20-11-19-10-13-5-3-2-4-6-13/h2-9,12,18H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol?
(1S)-1-[5-fluoro-2-(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 (1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 102939866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).