7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene

C13H13F3O — CID 162565450

IUPAC7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1C(F)(F)F)CCC=C2C
InChIInChI=1S/C13H13F3O/c1-8-4-3-5-10-9(8)6-7-11(17-2)12(10)13(14,15)16/h4,6-7H,3,5H2,1-2H3
InChIKeyDHSIDECWDNVHRP-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.06
Rot. Bonds1

About 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene

7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene (PubChem CID 162565450) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene
PubChem CID162565450
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1C(F)(F)F)CCC=C2C
InChIInChI=1S/C13H13F3O/c1-8-4-3-5-10-9(8)6-7-11(17-2)12(10)13(14,15)16/h4,6-7H,3,5H2,1-2H3
InChIKeyDHSIDECWDNVHRP-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene?
The IUPAC name of 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene (CID 162565450) is 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene?
The canonical SMILES for 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene is COc1ccc2c(c1C(F)(F)F)CCC=C2C.
What is the InChIKey of 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene?
The InChIKey is DHSIDECWDNVHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-8-4-3-5-10-9(8)6-7-11(17-2)12(10)13(14,15)16/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene?
7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene has a molecular weight of 242.24 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 162565450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).