(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol

C18H21FO2 — CID 78944719

IUPAC(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1
InChIInChI=1S/C18H21FO2/c1-12(20)13-5-10-17(16(19)11-13)21-15-8-6-14(7-9-15)18(2,3)4/h5-12,20H,1-4H3/t12-/m0/s1
InChIKeyNYFOFZSSQVBGEK-LBPRGKRZSA-N
MW288.36 g/mol
LogP4.97
Rot. Bonds3

About (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol

(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol (PubChem CID 78944719) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
PubChem CID78944719
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1
InChIInChI=1S/C18H21FO2/c1-12(20)13-5-10-17(16(19)11-13)21-15-8-6-14(7-9-15)18(2,3)4/h5-12,20H,1-4H3/t12-/m0/s1
InChIKeyNYFOFZSSQVBGEK-LBPRGKRZSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-bromo-4-(4-tert-butylphenoxy)phenyl]ethanol
CID 78944751
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
(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-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
(1R)-1-[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944838
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 107724988
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
(1R)-1-[4-(3-bromophenoxy)-3-fluorophenyl]ethanol
CID 78941612
3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol (CID 78944719) is (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol is C[C@H](O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1.
What is the InChIKey of (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol?
The InChIKey is NYFOFZSSQVBGEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21FO2/c1-12(20)13-5-10-17(16(19)11-13)21-15-8-6-14(7-9-15)18(2,3)4/h5-12,20H,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol?
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol has a molecular weight of 288.36 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78944719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).