1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol

C23H34ClF3O2 — CID 169139181

IUPAC1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC.CC.CCC(O)c1cccc(C(F)(F)F)c1.CCC(O)c1ccccc1Cl
InChIInChI=1S/C10H11F3O.C9H11ClO.2C2H6/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13;1-2-9(11)7-5-3-4-6-8(7)10;2*1-2/h3-6,9,14H,2H2,1H3;3-6,9,11H,2H2,1H3;2*1-2H3
InChIKeyPRDVJYZXJLVSTQ-UHFFFAOYSA-N
MW434.97 g/mol
LogP7.98
Rot. Bonds4

About 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol

1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 169139181) has the molecular formula C23H34ClF3O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID169139181
Molecular FormulaC23H34ClF3O2
Molecular Weight434.97 g/mol
Exact Mass434.22
IUPAC Name1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC.CC.CCC(O)c1cccc(C(F)(F)F)c1.CCC(O)c1ccccc1Cl
InChIInChI=1S/C10H11F3O.C9H11ClO.2C2H6/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13;1-2-9(11)7-5-3-4-6-8(7)10;2*1-2/h3-6,9,14H,2H2,1H3;3-6,9,11H,2H2,1H3;2*1-2H3
InChIKeyPRDVJYZXJLVSTQ-UHFFFAOYSA-N
XLogP7.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
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2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
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2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 48542193
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 169139181) is 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol is CC.CC.CCC(O)c1cccc(C(F)(F)F)c1.CCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is PRDVJYZXJLVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O.C9H11ClO.2C2H6/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13;1-2-9(11)7-5-3-4-6-8(7)10;2*1-2/h3-6,9,14H,2H2,1H3;3-6,9,11H,2H2,1H3;2*1-2H3.
What are the key properties of 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol?
1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 434.97 g/mol, XLogP of 7.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 169139181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).