2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C16H12F3NO2 — CID 90925442

IUPAC2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)22-13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(20)21/h1-8,10,21H,9H2
InChIKeyRTHFLWSASKCLIR-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.29
Rot. Bonds3

About 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90925442) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90925442
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)22-13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(20)21/h1-8,10,21H,9H2
InChIKeyRTHFLWSASKCLIR-UHFFFAOYSA-N
XLogP4.29
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-Methoxyphenyl)methyl]indol-3-yl]methanol
CID 20109674
2-[[3,4-Bis(4-methoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137647596
4-[4-(4-Hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137649614
4-[[3,4-Bis(4-methoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137653346
4-[4-(4-Hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137655011
4-[4-(4-Hydroxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137656591
5-Methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]indole
CID 86094768
Isoindolo[1,2-c][2,4]-benzoxazepine
CID 142755489
2-[[3-(Trifluoromethoxy)phenyl]methyl]isoquinolin-2-ium-7-ol
CID 23806736
1-[[4-(Difluoromethoxy)phenyl]methyl]indole
CID 22256749
1-[[4-(Trifluoromethoxy)phenyl]methyl]indole
CID 22256837
6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54194048

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90925442) is 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Oc1c2ccccc2cn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is RTHFLWSASKCLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)22-13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(20)21/h1-8,10,21H,9H2.
What are the key properties of 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 307.27 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90925442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).