oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol

C12H13F3O3 — CID 63893773

IUPACoxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)C1CCOC1
InChIInChI=1S/C12H13F3O3/c13-12(14,15)18-10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h1-4,9,11,16H,5-7H2
InChIKeyXNTLQZXXXGEKQT-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.66
Rot. Bonds3

About oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol

oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 63893773) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Nameoxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID63893773
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Nameoxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)C1CCOC1
InChIInChI=1S/C12H13F3O3/c13-12(14,15)18-10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h1-4,9,11,16H,5-7H2
InChIKeyXNTLQZXXXGEKQT-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115856447
N-[1-(oxolan-3-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 115916988
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 80716691
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
furan-3-yl(oxolan-3-yl)methanol
CID 63894971
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921
(3R)-3-[[2-[(3S)-oxolan-3-yl]acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 125153738
1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65330397
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
(4-butoxyphenyl)-(oxan-4-yl)methanol
CID 105097491

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol (CID 63893773) is oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(OC(F)(F)F)cc1)C1CCOC1.
What is the InChIKey of oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is XNTLQZXXXGEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c13-12(14,15)18-10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h1-4,9,11,16H,5-7H2.
What are the key properties of oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol?
oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 262.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63893773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).