1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol

C12H15F3O2 — CID 163533268

IUPAC1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
SMILESCOc1ccc(C(C)O)cc1CCC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-8(16)9-3-4-11(17-2)10(7-9)5-6-12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyDUUCMVIUDJHUJD-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol

1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol (PubChem CID 163533268) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
PubChem CID163533268
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
SMILESCOc1ccc(C(C)O)cc1CCC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-8(16)9-3-4-11(17-2)10(7-9)5-6-12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyDUUCMVIUDJHUJD-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol
CID 106666594
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 63364673
4-(difluoromethyl)-1-methoxy-2-propylbenzene
CID 165125714
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
CID 62229958
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681019
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol?
The IUPAC name of 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol (CID 163533268) is 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol?
The canonical SMILES for 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol is COc1ccc(C(C)O)cc1CCC(F)(F)F.
What is the InChIKey of 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol?
The InChIKey is DUUCMVIUDJHUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-8(16)9-3-4-11(17-2)10(7-9)5-6-12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol?
1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol has a molecular weight of 248.24 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol is sourced from PubChem (CID 163533268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).