7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C13H15F3O3 — CID 79248625

IUPAC7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)C(O)C(OCC(F)(F)F)CC2
InChIInChI=1S/C13H15F3O3/c1-18-9-4-2-8-3-5-11(12(17)10(8)6-9)19-7-13(14,15)16/h2,4,6,11-12,17H,3,5,7H2,1H3
InChIKeyREJKGASLAIXTDH-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.62
Rot. Bonds3

About 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79248625) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79248625
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)C(O)C(OCC(F)(F)F)CC2
InChIInChI=1S/C13H15F3O3/c1-18-9-4-2-8-3-5-11(12(17)10(8)6-9)19-7-13(14,15)16/h2,4,6,11-12,17H,3,5,7H2,1H3
InChIKeyREJKGASLAIXTDH-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-methyl-2-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82960676
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
2-[cyclopropyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247998
6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374795
1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
CID 102014911
6-methoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
CID 15576006
7-methoxy-2-[propan-2-yl(propyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247603
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82003829
2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79248625) is 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc2c(c1)C(O)C(OCC(F)(F)F)CC2.
What is the InChIKey of 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is REJKGASLAIXTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c1-18-9-4-2-8-3-5-11(12(17)10(8)6-9)19-7-13(14,15)16/h2,4,6,11-12,17H,3,5,7H2,1H3.
What are the key properties of 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 276.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79248625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).