1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene

C18H15F3O2 — CID 134982807

IUPAC1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene
SMILESCOC1=C(c2ccccc2)c2cc(C(F)(F)F)ccc2C1OC
InChIInChI=1S/C18H15F3O2/c1-22-16-13-9-8-12(18(19,20)21)10-14(13)15(17(16)23-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyQOWAOHVUBBXCIE-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.81
Rot. Bonds3

About 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene

1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene (PubChem CID 134982807) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene.

Molecular Properties

Compound Name1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene
PubChem CID134982807
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene
SMILESCOC1=C(c2ccccc2)c2cc(C(F)(F)F)ccc2C1OC
InChIInChI=1S/C18H15F3O2/c1-22-16-13-9-8-12(18(19,20)21)10-14(13)15(17(16)23-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyQOWAOHVUBBXCIE-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene?
The IUPAC name of 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene (CID 134982807) is 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene.
What is the SMILES notation for 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene?
The canonical SMILES for 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene is COC1=C(c2ccccc2)c2cc(C(F)(F)F)ccc2C1OC.
What is the InChIKey of 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene?
The InChIKey is QOWAOHVUBBXCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O2/c1-22-16-13-9-8-12(18(19,20)21)10-14(13)15(17(16)23-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3.
What are the key properties of 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene?
1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene has a molecular weight of 320.31 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-phenyl-5-(trifluoromethyl)-1H-indene is sourced from PubChem (CID 134982807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).