(1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol

C15H15FO2 — CID 93324900

IUPAC(1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@](C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FO2/c1-15(17,11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,17H,1-2H3/t15-/m1/s1
InChIKeyRTKLYWGXKVIHCU-OAHLLOKOSA-N
MW246.28 g/mol
LogP3.09
Rot. Bonds3

About (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol

(1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol (PubChem CID 93324900) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol
PubChem CID93324900
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name(1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@](C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FO2/c1-15(17,11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,17H,1-2H3/t15-/m1/s1
InChIKeyRTKLYWGXKVIHCU-OAHLLOKOSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol (CID 93324900) is (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol is COc1ccc([C@](C)(O)c2ccc(F)cc2)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is RTKLYWGXKVIHCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15FO2/c1-15(17,11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,17H,1-2H3/t15-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol?
(1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 246.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 93324900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).