2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol

C19H20F3NO2 — CID 137448565

IUPAC2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol
SMILESCOc1cc(CCCN2Cc3ccc(C(F)(F)F)cc3C2)ccc1O
InChIInChI=1S/C19H20F3NO2/c1-25-18-9-13(4-7-17(18)24)3-2-8-23-11-14-5-6-16(19(20,21)22)10-15(14)12-23/h4-7,9-10,24H,2-3,8,11-12H2,1H3
InChIKeyAUALKMQJUITLHX-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.37
Rot. Bonds5

About 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol

2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol (PubChem CID 137448565) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol
PubChem CID137448565
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol
SMILESCOc1cc(CCCN2Cc3ccc(C(F)(F)F)cc3C2)ccc1O
InChIInChI=1S/C19H20F3NO2/c1-25-18-9-13(4-7-17(18)24)3-2-8-23-11-14-5-6-16(19(20,21)22)10-15(14)12-23/h4-7,9-10,24H,2-3,8,11-12H2,1H3
InChIKeyAUALKMQJUITLHX-UHFFFAOYSA-N
XLogP4.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505
ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol
CID 144898004
2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277035
2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277050
2-methoxy-4-[[methyl-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
CID 25284204
[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine
CID 178136681
ethane;2-methoxy-4-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 144539777
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 69018228
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
CID 129295645
4-[3-[5-(benzenesulfonyl)-1,3-dihydroisoindol-2-yl]-3-methylbutyl]-2-methoxyphenol
CID 118282999
4-(4-hydroxy-3-methoxyphenyl)butanenitrile
CID 53434569

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol?
The IUPAC name of 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol (CID 137448565) is 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol.
What is the SMILES notation for 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol?
The canonical SMILES for 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol is COc1cc(CCCN2Cc3ccc(C(F)(F)F)cc3C2)ccc1O.
What is the InChIKey of 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol?
The InChIKey is AUALKMQJUITLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-25-18-9-13(4-7-17(18)24)3-2-8-23-11-14-5-6-16(19(20,21)22)10-15(14)12-23/h4-7,9-10,24H,2-3,8,11-12H2,1H3.
What are the key properties of 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol?
2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol has a molecular weight of 351.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol is sourced from PubChem (CID 137448565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).