(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol

C11H15FO2 — CID 97294141

IUPAC(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
SMILESCC[C@](C)(O)c1cc(F)ccc1OC
InChIInChI=1S/C11H15FO2/c1-4-11(2,13)9-7-8(12)5-6-10(9)14-3/h5-7,13H,4H2,1-3H3/t11-/m0/s1
InChIKeyUCEDWUDJGRHMJX-NSHDSACASA-N
MW198.24 g/mol
LogP2.45
Rot. Bonds3

About (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol

(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol (PubChem CID 97294141) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
PubChem CID97294141
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
SMILESCC[C@](C)(O)c1cc(F)ccc1OC
InChIInChI=1S/C11H15FO2/c1-4-11(2,13)9-7-8(12)5-6-10(9)14-3/h5-7,13H,4H2,1-3H3/t11-/m0/s1
InChIKeyUCEDWUDJGRHMJX-NSHDSACASA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
2-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832664
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159
1-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446826
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735
1-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 82770802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol?
The IUPAC name of (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol (CID 97294141) is (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol.
What is the SMILES notation for (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol?
The canonical SMILES for (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol is CC[C@](C)(O)c1cc(F)ccc1OC.
What is the InChIKey of (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol?
The InChIKey is UCEDWUDJGRHMJX-NSHDSACASA-N. The full InChI is InChI=1S/C11H15FO2/c1-4-11(2,13)9-7-8(12)5-6-10(9)14-3/h5-7,13H,4H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol?
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 97294141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).