(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol

C18H21FO2 — CID 63541276

IUPAC(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
SMILESCCC(C)c1ccccc1Oc1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C18H21FO2/c1-4-12(2)15-7-5-6-8-17(15)21-18-10-9-14(19)11-16(18)13(3)20/h5-13,20H,4H2,1-3H3/t12?,13-/m1/s1
InChIKeyVUTNQYGIAQIQBO-ZGTCLIOFSA-N
MW288.36 g/mol
LogP5.18
Rot. Bonds5

About (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol

(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol (PubChem CID 63541276) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
PubChem CID63541276
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
SMILESCCC(C)c1ccccc1Oc1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C18H21FO2/c1-4-12(2)15-7-5-6-8-17(15)21-18-10-9-14(19)11-16(18)13(3)20/h5-13,20H,4H2,1-3H3/t12?,13-/m1/s1
InChIKeyVUTNQYGIAQIQBO-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

1-[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 82959280
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(1R)-1-[3-bromo-4-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 63541744
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(1R)-1-[4-(2-butan-2-ylphenoxy)-3-fluorophenyl]ethanamine
CID 63369801
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
4-(2-butan-2-ylphenoxy)-3-fluorobenzenecarbothioamide
CID 43658062

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol (CID 63541276) is (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol is CCC(C)c1ccccc1Oc1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol?
The InChIKey is VUTNQYGIAQIQBO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C18H21FO2/c1-4-12(2)15-7-5-6-8-17(15)21-18-10-9-14(19)11-16(18)13(3)20/h5-13,20H,4H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of (1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol?
(1R)-1-[2-(2-butan-2-ylphenoxy)-5-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-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 63541276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).