[6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol

C17H14F3NO2 — CID 71568171

IUPAC[6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
SMILESCOc1ccc2cc(CO)n(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H14F3NO2/c1-23-15-7-2-11-8-14(10-22)21(16(11)9-15)13-5-3-12(4-6-13)17(18,19)20/h2-9,22H,10H2,1H3
InChIKeyIRFFCNWLBCVTRF-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.15
Rot. Bonds3

About [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol

[6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol (PubChem CID 71568171) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
PubChem CID71568171
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name[6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
SMILESCOc1ccc2cc(CO)n(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H14F3NO2/c1-23-15-7-2-11-8-14(10-22)21(16(11)9-15)13-5-3-12(4-6-13)17(18,19)20/h2-9,22H,10H2,1H3
InChIKeyIRFFCNWLBCVTRF-UHFFFAOYSA-N
XLogP4.15
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol?
The IUPAC name of [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol (CID 71568171) is [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol.
What is the SMILES notation for [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol?
The canonical SMILES for [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol is COc1ccc2cc(CO)n(-c3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol?
The InChIKey is IRFFCNWLBCVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-23-15-7-2-11-8-14(10-22)21(16(11)9-15)13-5-3-12(4-6-13)17(18,19)20/h2-9,22H,10H2,1H3.
What are the key properties of [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol?
[6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol has a molecular weight of 321.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol is sourced from PubChem (CID 71568171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).