2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone

C21H22O3 — CID 102424708

IUPAC2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone
SMILESCOCC1=C(COC)C(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H22O3/c1-23-13-19-17-11-7-6-10-16(17)18(20(19)14-24-2)12-21(22)15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3
InChIKeyZYPANFHEIQMPTC-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.10
Rot. Bonds7

About 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone

2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone (PubChem CID 102424708) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone
PubChem CID102424708
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone
SMILESCOCC1=C(COC)C(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H22O3/c1-23-13-19-17-11-7-6-10-16(17)18(20(19)14-24-2)12-21(22)15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3
InChIKeyZYPANFHEIQMPTC-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone (CID 102424708) is 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone is COCC1=C(COC)C(CC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone?
The InChIKey is ZYPANFHEIQMPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-23-13-19-17-11-7-6-10-16(17)18(20(19)14-24-2)12-21(22)15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3.
What are the key properties of 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone?
2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone has a molecular weight of 322.40 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(methoxymethyl)-1H-inden-1-yl]-1-phenylethanone is sourced from PubChem (CID 102424708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).