3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one

C16H20O3 — CID 114018813

IUPAC3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20O3/c1-2-8-18-16-14(17)10-15(16)19-13-7-6-11-4-3-5-12(11)9-13/h6-7,9,15-16H,2-5,8,10H2,1H3
InChIKeyYQYBGJLFHMGIKE-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.69
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one

3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one (PubChem CID 114018813) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one
PubChem CID114018813
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20O3/c1-2-8-18-16-14(17)10-15(16)19-13-7-6-11-4-3-5-12(11)9-13/h6-7,9,15-16H,2-5,8,10H2,1H3
InChIKeyYQYBGJLFHMGIKE-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one (CID 114018813) is 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one is CCCOC1C(=O)CC1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one?
The InChIKey is YQYBGJLFHMGIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-2-8-18-16-14(17)10-15(16)19-13-7-6-11-4-3-5-12(11)9-13/h6-7,9,15-16H,2-5,8,10H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one?
3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one has a molecular weight of 260.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one is sourced from PubChem (CID 114018813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).