[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol

C16H12F3NO — CID 146971689

IUPAC[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-5-12-7-20-8-15(12)14(6-13)11-3-1-10(9-21)2-4-11/h1-6,8,21H,7,9H2
InChIKeyAMNUHUOSKLMHIX-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.80
Rot. Bonds2

About [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol

[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol (PubChem CID 146971689) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
PubChem CID146971689
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-5-12-7-20-8-15(12)14(6-13)11-3-1-10(9-21)2-4-11/h1-6,8,21H,7,9H2
InChIKeyAMNUHUOSKLMHIX-UHFFFAOYSA-N
XLogP3.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol?
The IUPAC name of [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol (CID 146971689) is [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol is OCc1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)cc1.
What is the InChIKey of [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol?
The InChIKey is AMNUHUOSKLMHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-5-12-7-20-8-15(12)14(6-13)11-3-1-10(9-21)2-4-11/h1-6,8,21H,7,9H2.
What are the key properties of [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol?
[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol has a molecular weight of 291.27 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol is sourced from PubChem (CID 146971689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).