(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol

C11H15FO2 — CID 97294393

IUPAC(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
SMILESCCCOc1cc([C@H](C)O)ccc1F
InChIInChI=1S/C11H15FO2/c1-3-6-14-11-7-9(8(2)13)4-5-10(11)12/h4-5,7-8,13H,3,6H2,1-2H3/t8-/m0/s1
InChIKeyUQMWGPAKIYZGIS-QMMMGPOBSA-N
MW198.24 g/mol
LogP2.67
Rot. Bonds4

About (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol

(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol (PubChem CID 97294393) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
PubChem CID97294393
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
SMILESCCCOc1cc([C@H](C)O)ccc1F
InChIInChI=1S/C11H15FO2/c1-3-6-14-11-7-9(8(2)13)4-5-10(11)12/h4-5,7-8,13H,3,6H2,1-2H3/t8-/m0/s1
InChIKeyUQMWGPAKIYZGIS-QMMMGPOBSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1-fluoro-4-methylsulfanyl-2-propoxybenzene
CID 91657322
2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol (CID 97294393) is (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol is CCCOc1cc([C@H](C)O)ccc1F.
What is the InChIKey of (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol?
The InChIKey is UQMWGPAKIYZGIS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FO2/c1-3-6-14-11-7-9(8(2)13)4-5-10(11)12/h4-5,7-8,13H,3,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol?
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol has a molecular weight of 198.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluoro-3-propoxyphenyl)ethanol is sourced from PubChem (CID 97294393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).