2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one

C22H22O3 — CID 70233992

IUPAC2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one
SMILESC=CCOc1cccc2c1CC(C1c3ccccc3CC1OC)C2=O
InChIInChI=1S/C22H22O3/c1-3-11-25-19-10-6-9-16-17(19)13-18(22(16)23)21-15-8-5-4-7-14(15)12-20(21)24-2/h3-10,18,20-21H,1,11-13H2,2H3
InChIKeyKYMOPXFFOJFUHI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.96
Rot. Bonds5

About 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one

2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one (PubChem CID 70233992) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one
PubChem CID70233992
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one
SMILESC=CCOc1cccc2c1CC(C1c3ccccc3CC1OC)C2=O
InChIInChI=1S/C22H22O3/c1-3-11-25-19-10-6-9-16-17(19)13-18(22(16)23)21-15-8-5-4-7-14(15)12-20(21)24-2/h3-10,18,20-21H,1,11-13H2,2H3
InChIKeyKYMOPXFFOJFUHI-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one (CID 70233992) is 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one is C=CCOc1cccc2c1CC(C1c3ccccc3CC1OC)C2=O.
What is the InChIKey of 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one?
The InChIKey is KYMOPXFFOJFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-3-11-25-19-10-6-9-16-17(19)13-18(22(16)23)21-15-8-5-4-7-14(15)12-20(21)24-2/h3-10,18,20-21H,1,11-13H2,2H3.
What are the key properties of 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one?
2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one has a molecular weight of 334.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-4-prop-2-enoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 70233992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).