1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol

C13H17F3O2 — CID 20657918

IUPAC1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol
SMILESCCCc1cc(OC)ccc1C(C)(O)C(F)(F)F
InChIInChI=1S/C13H17F3O2/c1-4-5-9-8-10(18-3)6-7-11(9)12(2,17)13(14,15)16/h6-8,17H,4-5H2,1-3H3
InChIKeyQGZXKPKOJIICFB-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.42
Rot. Bonds4

About 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol

1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol (PubChem CID 20657918) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol
PubChem CID20657918
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol
SMILESCCCc1cc(OC)ccc1C(C)(O)C(F)(F)F
InChIInChI=1S/C13H17F3O2/c1-4-5-9-8-10(18-3)6-7-11(9)12(2,17)13(14,15)16/h6-8,17H,4-5H2,1-3H3
InChIKeyQGZXKPKOJIICFB-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol (CID 20657918) is 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol is CCCc1cc(OC)ccc1C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol?
The InChIKey is QGZXKPKOJIICFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-4-5-9-8-10(18-3)6-7-11(9)12(2,17)13(14,15)16/h6-8,17H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol?
1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol has a molecular weight of 262.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol is sourced from PubChem (CID 20657918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).