1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene

C24H30O2 — CID 19693752

IUPAC1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene
SMILESCOCC1(COC)C=Cc2cccc(-c3c(C)c(C)c(C)c(C)c3C)c21
InChIInChI=1S/C24H30O2/c1-15-16(2)18(4)22(19(5)17(15)3)21-10-8-9-20-11-12-24(13-25-6,14-26-7)23(20)21/h8-12H,13-14H2,1-7H3
InChIKeyAQPIOPFXBXDCML-UHFFFAOYSA-N
MW350.50 g/mol
LogP5.45
Rot. Bonds5

About 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene

1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene (PubChem CID 19693752) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene.

Molecular Properties

Compound Name1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene
PubChem CID19693752
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene
SMILESCOCC1(COC)C=Cc2cccc(-c3c(C)c(C)c(C)c(C)c3C)c21
InChIInChI=1S/C24H30O2/c1-15-16(2)18(4)22(19(5)17(15)3)21-10-8-9-20-11-12-24(13-25-6,14-26-7)23(20)21/h8-12H,13-14H2,1-7H3
InChIKeyAQPIOPFXBXDCML-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene?
The IUPAC name of 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene (CID 19693752) is 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene.
What is the SMILES notation for 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene?
The canonical SMILES for 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene is COCC1(COC)C=Cc2cccc(-c3c(C)c(C)c(C)c(C)c3C)c21.
What is the InChIKey of 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene?
The InChIKey is AQPIOPFXBXDCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-15-16(2)18(4)22(19(5)17(15)3)21-10-8-9-20-11-12-24(13-25-6,14-26-7)23(20)21/h8-12H,13-14H2,1-7H3.
What are the key properties of 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene?
1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene has a molecular weight of 350.50 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methoxymethyl)-7-(2,3,4,5,6-pentamethylphenyl)indene is sourced from PubChem (CID 19693752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).