1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol

C16H14ClF3O2 — CID 71604665

IUPAC1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(CC(F)(F)F)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClF3O2/c1-22-14-8-4-12(5-9-14)15(21,10-16(18,19)20)11-2-6-13(17)7-3-11/h2-9,21H,10H2,1H3
InChIKeyBODLSWHFEWVTQA-UHFFFAOYSA-N
MW330.73 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol

1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 71604665) has the molecular formula C16H14ClF3O2 and a molecular weight of 330.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol
PubChem CID71604665
Molecular FormulaC16H14ClF3O2
Molecular Weight330.73 g/mol
Exact Mass330.06
IUPAC Name1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(CC(F)(F)F)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClF3O2/c1-22-14-8-4-12(5-9-14)15(21,10-16(18,19)20)11-2-6-13(17)7-3-11/h2-9,21H,10H2,1H3
InChIKeyBODLSWHFEWVTQA-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol (CID 71604665) is 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)(CC(F)(F)F)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is BODLSWHFEWVTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3O2/c1-22-14-8-4-12(5-9-14)15(21,10-16(18,19)20)11-2-6-13(17)7-3-11/h2-9,21H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol?
1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 330.73 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 71604665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).