2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol

C19H14ClF3O2 — CID 162396939

IUPAC2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C19H14ClF3O2/c20-16-8-6-15(7-9-16)18(24,19(21,22)23)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11,24H,12H2
InChIKeyREPUJOURHJUQRY-UHFFFAOYSA-N
MW366.77 g/mol
LogP5.32
Rot. Bonds4

About 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol

2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 162396939) has the molecular formula C19H14ClF3O2 and a molecular weight of 366.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol
PubChem CID162396939
Molecular FormulaC19H14ClF3O2
Molecular Weight366.77 g/mol
Exact Mass366.06
IUPAC Name2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C19H14ClF3O2/c20-16-8-6-15(7-9-16)18(24,19(21,22)23)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11,24H,12H2
InChIKeyREPUJOURHJUQRY-UHFFFAOYSA-N
XLogP5.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.77
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloro-2-(2-naphthyloxy)phenol
CID 71718966
6-(4-Chloro-2-hydroxy-phenoxy)-naphthalen-2-OL
CID 447409
Benzeneethanol, beta-(4-((4-chlorophenyl)methyl)phenoxy)-, (+-)-
CID 3054653
1,1-Bis(4-chlorophenyl)-2-(4-fluorophenoxy)ethanol
CID 2728620
3-(4-Chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 10829409
1-(4-Chloro-benzyl)-6-methoxy-naphthalene
CID 44323843
3-Methyl-2-(p-chlorophenyl)butyl m-(m-tri-fluoromethylphenoxy)benzyl ether
CID 15045821
7-[2-Chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 13630678
1,1,1-Trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol
CID 162396936
1,1,1-Trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol
CID 162396937
1,1,1-Trifluoro-2-(4-fluorophenyl)-3-naphthalen-2-yloxypropan-2-ol
CID 162396938
1,1,1-Trifluoro-3-naphthalen-2-yloxy-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 162396940

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol (CID 162396939) is 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol is OC(COc1ccc2ccccc2c1)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is REPUJOURHJUQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3O2/c20-16-8-6-15(7-9-16)18(24,19(21,22)23)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11,24H,12H2.
What are the key properties of 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol?
2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 366.77 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 162396939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).