1,2-diethyl-3-methoxy-1,4-dimethylindene

C16H22O — CID 134972913

IUPAC1,2-diethyl-3-methoxy-1,4-dimethylindene
SMILESCCC1=C(OC)c2c(C)cccc2C1(C)CC
InChIInChI=1S/C16H22O/c1-6-12-15(17-5)14-11(3)9-8-10-13(14)16(12,4)7-2/h8-10H,6-7H2,1-5H3
InChIKeyZWRXRNBSJSWDCK-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.44
Rot. Bonds3

About 1,2-diethyl-3-methoxy-1,4-dimethylindene

1,2-diethyl-3-methoxy-1,4-dimethylindene (PubChem CID 134972913) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,2-diethyl-3-methoxy-1,4-dimethylindene.

Molecular Properties

Compound Name1,2-diethyl-3-methoxy-1,4-dimethylindene
PubChem CID134972913
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1,2-diethyl-3-methoxy-1,4-dimethylindene
SMILESCCC1=C(OC)c2c(C)cccc2C1(C)CC
InChIInChI=1S/C16H22O/c1-6-12-15(17-5)14-11(3)9-8-10-13(14)16(12,4)7-2/h8-10H,6-7H2,1-5H3
InChIKeyZWRXRNBSJSWDCK-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-methoxy-1,4-dimethylindene?
The IUPAC name of 1,2-diethyl-3-methoxy-1,4-dimethylindene (CID 134972913) is 1,2-diethyl-3-methoxy-1,4-dimethylindene.
What is the SMILES notation for 1,2-diethyl-3-methoxy-1,4-dimethylindene?
The canonical SMILES for 1,2-diethyl-3-methoxy-1,4-dimethylindene is CCC1=C(OC)c2c(C)cccc2C1(C)CC.
What is the InChIKey of 1,2-diethyl-3-methoxy-1,4-dimethylindene?
The InChIKey is ZWRXRNBSJSWDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-6-12-15(17-5)14-11(3)9-8-10-13(14)16(12,4)7-2/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,2-diethyl-3-methoxy-1,4-dimethylindene?
1,2-diethyl-3-methoxy-1,4-dimethylindene has a molecular weight of 230.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-methoxy-1,4-dimethylindene is sourced from PubChem (CID 134972913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).