2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol

C14H21FO3 — CID 129227461

IUPAC2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol
SMILESCOc1ccc(F)cc1[C@H](CC(C)C)OCCO
InChIInChI=1S/C14H21FO3/c1-10(2)8-14(18-7-6-16)12-9-11(15)4-5-13(12)17-3/h4-5,9-10,14,16H,6-8H2,1-3H3/t14-/m0/s1
InChIKeyCICXVLDDLMHYJF-AWEZNQCLSA-N
MW256.32 g/mol
LogP2.93
Rot. Bonds7

About 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol

2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol (PubChem CID 129227461) has the molecular formula C14H21FO3 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol.

Molecular Properties

Compound Name2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol
PubChem CID129227461
Molecular FormulaC14H21FO3
Molecular Weight256.32 g/mol
Exact Mass256.15
IUPAC Name2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol
SMILESCOc1ccc(F)cc1[C@H](CC(C)C)OCCO
InChIInChI=1S/C14H21FO3/c1-10(2)8-14(18-7-6-16)12-9-11(15)4-5-13(12)17-3/h4-5,9-10,14,16H,6-8H2,1-3H3/t14-/m0/s1
InChIKeyCICXVLDDLMHYJF-AWEZNQCLSA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]propanenitrile
CID 142550262
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379
2-[(1S)-1-cyclohexyloxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;1-[(1S)-1-cyclohexyloxy-3-methylbutyl]-2-methoxybenzene;2-[(1S)-1-ethoxy-3-methylbutyl]-4-fluoro-1-methoxybenzene;4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(4-methylidenecyclohexyl)oxybutyl]benzene;tris(4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-(2-methylpropoxy)butyl]benzene);4-fluoro-1-methoxy-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]benzene;2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol;2-[4-fluoro-2-[(1S)-3-methyl-1-propan-2-yloxybutyl]phenoxy]ethanol;methane
CID 159606490
2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol
CID 103376821
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-ol
CID 171262543
(2R)-3-[(1S)-1-(5-fluoro-2-methoxyphenyl)propoxy]-2-methylpropanenitrile
CID 163904685
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol?
The IUPAC name of 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol (CID 129227461) is 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol.
What is the SMILES notation for 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol?
The canonical SMILES for 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol is COc1ccc(F)cc1[C@H](CC(C)C)OCCO.
What is the InChIKey of 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol?
The InChIKey is CICXVLDDLMHYJF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21FO3/c1-10(2)8-14(18-7-6-16)12-9-11(15)4-5-13(12)17-3/h4-5,9-10,14,16H,6-8H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol?
2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol has a molecular weight of 256.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol is sourced from PubChem (CID 129227461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).