5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol

C15H21F3O3 — CID 83921363

IUPAC5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
SMILESCCCOc1ccc(C(F)(F)F)cc1CCC(O)C(C)O
InChIInChI=1S/C15H21F3O3/c1-3-8-21-14-7-5-12(15(16,17)18)9-11(14)4-6-13(20)10(2)19/h5,7,9-10,13,19-20H,3-4,6,8H2,1-2H3
InChIKeyIPAHBQPVVVKNFM-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.17
Rot. Bonds7

About 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol

5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol (PubChem CID 83921363) has the molecular formula C15H21F3O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol.

Molecular Properties

Compound Name5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
PubChem CID83921363
Molecular FormulaC15H21F3O3
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
SMILESCCCOc1ccc(C(F)(F)F)cc1CCC(O)C(C)O
InChIInChI=1S/C15H21F3O3/c1-3-8-21-14-7-5-12(15(16,17)18)9-11(14)4-6-13(20)10(2)19/h5,7,9-10,13,19-20H,3-4,6,8H2,1-2H3
InChIKeyIPAHBQPVVVKNFM-UHFFFAOYSA-N
XLogP3.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
3-[2-propoxy-5-(trifluoromethyl)phenyl]propane-1-thiol
CID 83921271
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
CID 43267438
1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
CID 83949751
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
1-phenyl-2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 169386670
4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline
CID 143655981
4-oxo-4-[2-propoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262879

Frequently Asked Questions

What is the IUPAC name of 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol?
The IUPAC name of 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol (CID 83921363) is 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol.
What is the SMILES notation for 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol?
The canonical SMILES for 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol is CCCOc1ccc(C(F)(F)F)cc1CCC(O)C(C)O.
What is the InChIKey of 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol?
The InChIKey is IPAHBQPVVVKNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O3/c1-3-8-21-14-7-5-12(15(16,17)18)9-11(14)4-6-13(20)10(2)19/h5,7,9-10,13,19-20H,3-4,6,8H2,1-2H3.
What are the key properties of 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol?
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol has a molecular weight of 306.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol is sourced from PubChem (CID 83921363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).