(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol

C12H15FO2 — CID 78932472

IUPAC(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCC1CC1
InChIInChI=1S/C12H15FO2/c1-8(14)11-5-4-10(13)6-12(11)15-7-9-2-3-9/h4-6,8-9,14H,2-3,7H2,1H3/t8-/m0/s1
InChIKeyIKLUWYAFYDKYFI-QMMMGPOBSA-N
MW210.25 g/mol
LogP2.67
Rot. Bonds4

About (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol

(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol (PubChem CID 78932472) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
PubChem CID78932472
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCC1CC1
InChIInChI=1S/C12H15FO2/c1-8(14)11-5-4-10(13)6-12(11)15-7-9-2-3-9/h4-6,8-9,14H,2-3,7H2,1H3/t8-/m0/s1
InChIKeyIKLUWYAFYDKYFI-QMMMGPOBSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol
CID 63365914
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol (CID 78932472) is (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol is C[C@H](O)c1ccc(F)cc1OCC1CC1.
What is the InChIKey of (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol?
The InChIKey is IKLUWYAFYDKYFI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15FO2/c1-8(14)11-5-4-10(13)6-12(11)15-7-9-2-3-9/h4-6,8-9,14H,2-3,7H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol?
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol has a molecular weight of 210.25 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-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol is sourced from PubChem (CID 78932472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).