1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol

C11H13F3O2 — CID 117339948

IUPAC1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOc1ccc(CC(C)O)cc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-7(15)5-8-3-4-10(16-2)9(6-8)11(12,13)14/h3-4,6-7,15H,5H2,1-2H3
InChIKeyLFNNQFAKZOGBNX-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.64
Rot. Bonds3

About 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol

1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 117339948) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID117339948
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOc1ccc(CC(C)O)cc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-7(15)5-8-3-4-10(16-2)9(6-8)11(12,13)14/h3-4,6-7,15H,5H2,1-2H3
InChIKeyLFNNQFAKZOGBNX-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-amino-3-[4-methoxy-3-(trifluoromethyl)phenyl]propanoate
CID 95931969
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
1,5-bis[4-methoxy-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151393915
(2S)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 167442820
2-methoxy-4-(2-methylbutyl)-1-(trifluoromethyl)benzene
CID 177016098
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 65364910
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63320117
methyl 2-[4-(2-aminopropyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320686
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-ol
CID 117300594
3-bromo-1-[4-methoxy-3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860852

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol (CID 117339948) is 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol is COc1ccc(CC(C)O)cc1C(F)(F)F.
What is the InChIKey of 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is LFNNQFAKZOGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-7(15)5-8-3-4-10(16-2)9(6-8)11(12,13)14/h3-4,6-7,15H,5H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol?
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117339948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).