1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene

C24H19F3O4S — CID 102255565

IUPAC1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene
SMILESCOCOc1ccc2ccccc2c1-c1c(CS(=O)(=O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C24H19F3O4S/c1-30-15-31-21-13-12-17-7-3-5-9-20(17)23(21)22-18(14-32(28,29)24(25,26)27)11-10-16-6-2-4-8-19(16)22/h2-13H,14-15H2,1H3
InChIKeyHGUOBXFMZMZGCH-UHFFFAOYSA-N
MW460.47 g/mol
LogP6.08
Rot. Bonds6

About 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene

1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene (PubChem CID 102255565) has the molecular formula C24H19F3O4S and a molecular weight of 460.47 g/mol. Its IUPAC name is 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene.

Molecular Properties

Compound Name1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene
PubChem CID102255565
Molecular FormulaC24H19F3O4S
Molecular Weight460.47 g/mol
Exact Mass460.10
IUPAC Name1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene
SMILESCOCOc1ccc2ccccc2c1-c1c(CS(=O)(=O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C24H19F3O4S/c1-30-15-31-21-13-12-17-7-3-5-9-20(17)23(21)22-18(14-32(28,29)24(25,26)27)11-10-16-6-2-4-8-19(16)22/h2-13H,14-15H2,1H3
InChIKeyHGUOBXFMZMZGCH-UHFFFAOYSA-N
XLogP6.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.47
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(R)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthalene
CID 10959708
2-Methoxy-6-(2-methylsulfonylethyl)naphthalene
CID 155548487
2-(4''-Methanesulfonyl-biphenyl-2-yl)-6-methoxy-naphthalene
CID 44383630
[2-[3-Methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phenyl] trifluoromethanesulfonate
CID 58589894
2'-Methoxy-2-trifluoromethanesulfonyloxy-1,1'-binaphthalene
CID 71533841
2-(Methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene
CID 12996406
(8-Methoxyphenanthren-9-yl) trifluoromethanesulfonate
CID 15466571
[7-Methoxy-1-[7-methoxy-2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 23024166
(R)-2'-(Methoxymethoxy)-[1,1'-binaphthalen]-2-yl Trifluoromethanesulfonate
CID 25198893
(4-Methoxybenzo[c]phenanthren-1-yl) trifluoromethanesulfonate
CID 101000254
2-(Methoxymethoxy)-1-[2-(methoxymethoxy)-3-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalene
CID 101910730
(4-Methoxy-2-phenanthren-9-ylphenyl) trifluoromethanesulfonate
CID 134887662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene?
The IUPAC name of 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene (CID 102255565) is 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene.
What is the SMILES notation for 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene?
The canonical SMILES for 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene is COCOc1ccc2ccccc2c1-c1c(CS(=O)(=O)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene?
The InChIKey is HGUOBXFMZMZGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3O4S/c1-30-15-31-21-13-12-17-7-3-5-9-20(17)23(21)22-18(14-32(28,29)24(25,26)27)11-10-16-6-2-4-8-19(16)22/h2-13H,14-15H2,1H3.
What are the key properties of 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene?
1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene has a molecular weight of 460.47 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethoxy)naphthalen-1-yl]-2-(trifluoromethylsulfonylmethyl)naphthalene is sourced from PubChem (CID 102255565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).