4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol

C14H11F3O2 — CID 11021882

IUPAC4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
SMILESOc1ccc(-c2ccc([C@H](O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)13(19)11-3-1-9(2-4-11)10-5-7-12(18)8-6-10/h1-8,13,18-19H/t13-/m0/s1
InChIKeyKCKPRUYAMDAPHF-ZDUSSCGKSA-N
MW268.23 g/mol
LogP3.65
Rot. Bonds2

About 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol

4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol (PubChem CID 11021882) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
PubChem CID11021882
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
SMILESOc1ccc(-c2ccc([C@H](O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)13(19)11-3-1-9(2-4-11)10-5-7-12(18)8-6-10/h1-8,13,18-19H/t13-/m0/s1
InChIKeyKCKPRUYAMDAPHF-ZDUSSCGKSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol?
The IUPAC name of 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol (CID 11021882) is 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol?
The canonical SMILES for 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol is Oc1ccc(-c2ccc([C@H](O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol?
The InChIKey is KCKPRUYAMDAPHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)13(19)11-3-1-9(2-4-11)10-5-7-12(18)8-6-10/h1-8,13,18-19H/t13-/m0/s1.
What are the key properties of 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol?
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol has a molecular weight of 268.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol is sourced from PubChem (CID 11021882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).