1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol

C20H18F3NO3 — CID 154645725

IUPAC1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol
SMILESCOc1cc(C(C)(O)C(F)(F)F)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C20H18F3NO3/c1-19(25,20(21,22)23)14-8-10-17(18(11-14)26-2)27-12-15-9-7-13-5-3-4-6-16(13)24-15/h3-11,25H,12H2,1-2H3
InChIKeyKHKPZETVPQMARW-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.59
Rot. Bonds5

About 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol

1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol (PubChem CID 154645725) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol
PubChem CID154645725
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol
SMILESCOc1cc(C(C)(O)C(F)(F)F)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C20H18F3NO3/c1-19(25,20(21,22)23)14-8-10-17(18(11-14)26-2)27-12-15-9-7-13-5-3-4-6-16(13)24-15/h3-11,25H,12H2,1-2H3
InChIKeyKHKPZETVPQMARW-UHFFFAOYSA-N
XLogP4.59
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol (CID 154645725) is 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol is COc1cc(C(C)(O)C(F)(F)F)ccc1OCc1ccc2ccccc2n1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol?
The InChIKey is KHKPZETVPQMARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-19(25,20(21,22)23)14-8-10-17(18(11-14)26-2)27-12-15-9-7-13-5-3-4-6-16(13)24-15/h3-11,25H,12H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol?
1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol has a molecular weight of 377.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 154645725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).