3-propoxy-5-(trifluoromethyl)phenol

C10H11F3O2 — CID 118342805

IUPAC3-propoxy-5-(trifluoromethyl)phenol
SMILESCCCOc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c1-2-3-15-9-5-7(10(11,12)13)4-8(14)6-9/h4-6,14H,2-3H2,1H3
InChIKeyYYEWJUUSTCIDMI-UHFFFAOYSA-N
MW220.19 g/mol
LogP3.20
Rot. Bonds3

About 3-propoxy-5-(trifluoromethyl)phenol

3-propoxy-5-(trifluoromethyl)phenol (PubChem CID 118342805) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-propoxy-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-propoxy-5-(trifluoromethyl)phenol
PubChem CID118342805
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name3-propoxy-5-(trifluoromethyl)phenol
SMILESCCCOc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c1-2-3-15-9-5-7(10(11,12)13)4-8(14)6-9/h4-6,14H,2-3H2,1H3
InChIKeyYYEWJUUSTCIDMI-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
3-(hydroxymethyl)-5-propoxyphenol
CID 15514176
3-butoxy-5-(trifluoromethyl)benzoic acid
CID 118349151
3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(4-fluorobutoxy)phenol
CID 146557382
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
CID 57478513
5,11,17-tritert-butyl-23-propoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 102278918
3-(3,3-dimethylbutoxy)-5-(trifluoromethyl)aniline
CID 82994867
3-phenoxy-5-(trifluoromethyl)phenol
CID 66883076
1-butoxy-3,5-ditert-butylbenzene
CID 57175272
dipotassium;3,5-bis(trifluoromethyl)phenol;2-[3,5-bis(trifluoromethyl)phenoxy]ethanol;2-bromoethanol;deuterio(fluoro)methane;hydride;oxido formate
CID 160650370

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-5-(trifluoromethyl)phenol?
The IUPAC name of 3-propoxy-5-(trifluoromethyl)phenol (CID 118342805) is 3-propoxy-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-propoxy-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-propoxy-5-(trifluoromethyl)phenol is CCCOc1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-propoxy-5-(trifluoromethyl)phenol?
The InChIKey is YYEWJUUSTCIDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-2-3-15-9-5-7(10(11,12)13)4-8(14)6-9/h4-6,14H,2-3H2,1H3.
What are the key properties of 3-propoxy-5-(trifluoromethyl)phenol?
3-propoxy-5-(trifluoromethyl)phenol has a molecular weight of 220.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-5-(trifluoromethyl)phenol is sourced from PubChem (CID 118342805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).