3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol

C15H13F3O2 — CID 53222024

IUPAC3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol
SMILESCCOc1cccc(-c2cc(O)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3O2/c1-2-20-14-5-3-4-10(8-14)11-6-12(15(16,17)18)9-13(19)7-11/h3-9,19H,2H2,1H3
InChIKeyPSGJUFQOCLKWBY-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.48
Rot. Bonds3

About 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol

3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol (PubChem CID 53222024) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol
PubChem CID53222024
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol
SMILESCCOc1cccc(-c2cc(O)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3O2/c1-2-20-14-5-3-4-10(8-14)11-6-12(15(16,17)18)9-13(19)7-11/h3-9,19H,2H2,1H3
InChIKeyPSGJUFQOCLKWBY-UHFFFAOYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
4-[[3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 58993611
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59820537
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
2-[4-(3-ethoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380369
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol
CID 53222022
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460
3-ethoxyphenol;iodoethane
CID 162028202
3-propoxy-5-(trifluoromethyl)phenol
CID 118342805

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol (CID 53222024) is 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol is CCOc1cccc(-c2cc(O)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol?
The InChIKey is PSGJUFQOCLKWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-2-20-14-5-3-4-10(8-14)11-6-12(15(16,17)18)9-13(19)7-11/h3-9,19H,2H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol?
3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol has a molecular weight of 282.26 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 53222024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).