(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol

C18H21FO2 — CID 107665857

IUPAC(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
SMILESCCC(C)c1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1
InChIInChI=1S/C18H21FO2/c1-4-12(2)14-5-8-16(9-6-14)21-18-10-7-15(13(3)20)11-17(18)19/h5-13,20H,4H2,1-3H3/t12?,13-/m1/s1
InChIKeyROJZYCXODPOABX-ZGTCLIOFSA-N
MW288.36 g/mol
LogP5.18
Rot. Bonds5

About (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol

(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol (PubChem CID 107665857) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
PubChem CID107665857
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
SMILESCCC(C)c1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1
InChIInChI=1S/C18H21FO2/c1-4-12(2)14-5-8-16(9-6-14)21-18-10-7-15(13(3)20)11-17(18)19/h5-13,20H,4H2,1-3H3/t12?,13-/m1/s1
InChIKeyROJZYCXODPOABX-ZGTCLIOFSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.36
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
4-(4-butan-2-ylphenoxy)-3-fluorobenzenecarbothioamide
CID 107664887
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
CID 63374650
1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol
CID 62336899
(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol
CID 78941434
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 107724988
(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol (CID 107665857) is (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol is CCC(C)c1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1.
What is the InChIKey of (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol?
The InChIKey is ROJZYCXODPOABX-ZGTCLIOFSA-N. The full InChI is InChI=1S/C18H21FO2/c1-4-12(2)14-5-8-16(9-6-14)21-18-10-7-15(13(3)20)11-17(18)19/h5-13,20H,4H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol?
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol has a molecular weight of 288.36 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 107665857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).