(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol

C15H19F3O3 — CID 116754328

IUPAC(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCCOC1(C(O)c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C15H19F3O3/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,13,19H,2,6-9H2,1H3
InChIKeyPKQWMARFUDBYIH-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.32
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol

(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 116754328) has the molecular formula C15H19F3O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID116754328
Molecular FormulaC15H19F3O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC Name(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCCOC1(C(O)c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C15H19F3O3/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,13,19H,2,6-9H2,1H3
InChIKeyPKQWMARFUDBYIH-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116765461
(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754252
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754164
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116749027
(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392
(4-cyclopropyloxyphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 114519169
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carbonitrile
CID 79136542
N-[(4-hydroxyoxan-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]butanamide
CID 111486072
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol
CID 103452414

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol (CID 116754328) is (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol is CCOC1(C(O)c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is PKQWMARFUDBYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O3/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,13,19H,2,6-9H2,1H3.
What are the key properties of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 304.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 116754328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).