[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol

C16H12F3NO — CID 161318036

IUPAC[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
SMILESOCc1cccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-5-12-7-20-8-15(12)14(6-13)11-3-1-2-10(4-11)9-21/h1-6,8,21H,7,9H2
InChIKeyVJTLNHVWICJKHI-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.80
Rot. Bonds2

About [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol

[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol (PubChem CID 161318036) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
PubChem CID161318036
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
SMILESOCc1cccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-5-12-7-20-8-15(12)14(6-13)11-3-1-2-10(4-11)9-21/h1-6,8,21H,7,9H2
InChIKeyVJTLNHVWICJKHI-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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CID 154717802
5H-benzo[d][2]benzazepin-5-ol
CID 12328827
[Methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
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[4-(Spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol
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[3-[[2-(methylideneamino)-2,3-dihydro-1H-inden-5-yl]methyl]-5-(trifluoromethyl)phenyl]methanol
CID 90832568
6-Cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol
CID 91095670
[4-[2-(Trifluoromethyl)azirin-2-yl]phenyl]methanol
CID 102162362
[3-[2-(Aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol
CID 135353908
[3-[2-(Aminomethyl)-4-(trifluoromethyl)phenyl]phenyl]methanol
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[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
CID 146971689
2-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]ethanol
CID 148043755

Frequently Asked Questions

What is the IUPAC name of [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol?
The IUPAC name of [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol (CID 161318036) is [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol?
The canonical SMILES for [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol is OCc1cccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1.
What is the InChIKey of [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol?
The InChIKey is VJTLNHVWICJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-5-12-7-20-8-15(12)14(6-13)11-3-1-2-10(4-11)9-21/h1-6,8,21H,7,9H2.
What are the key properties of [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol?
[3-[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 [3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol is sourced from PubChem (CID 161318036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).